CAS No.: 1228284-64-7 — 3-(Difluoromethyl)-N-methoxy-1-methyl-N-(1-methyl-2-(2,4,6-trichlorophenyl)ethyl)-1H-pyrazole-4-carboxamide (氟唑菌酰羟胺)

1. Primary Information

English name:	3-(Difluoromethyl)-N-methoxy-1-methyl-N-(1-methyl-2-(2,4,6-trichlorophenyl)ethyl)-1H-pyrazole-4-carboxamide
CAS No.:	1228284-64-7
Molecular formula:	C₁₆H₁₆Cl₃F₂N₃O₂
Molecular weight:	426.7 g/mol
SMILES:	CC(CC1=C(C=C(C=C1Cl)Cl)Cl)N(C(=O)C2=CN(N=C2C(F)F)C)OC
Structural class:
Other identifiers:	1H-Pyrazole-4-carboxamide, 3-(difluoromethyl)-N-methoxy-1-methyl-N-(1-methyl-2-(2,4,6-trichlorophenyl)ethyl)- 3-(Difluoromethyl)-N-methoxy-1-methyl-N-(1-(2,4,6-trichlorophenyl)-2-propanyl)-1H-pyrazole-4-carboxamide pydiflumetofen

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	2.5mg	98%	1280	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 42 43 0 1 0 0 0 0 0999 V2000 0.6950 1.0440 -1.5047 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4535 -2.3474 0.5185 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6147 2.8431 -0.2817 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.4184 -1.8663 -0.3711 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8493 -1.0069 -2.2787 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1065 -0.0207 1.9246 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3369 -1.4535 -1.1339 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2179 -0.8535 0.7965 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1878 2.2061 0.5989 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1706 1.5168 -0.0051 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8373 -1.8470 0.7285 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6670 -1.6948 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2323 -3.2447 0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6569 -0.5563 -0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2184 -0.7383 -0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 0.3288 0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2815 0.7208 -0.9039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9468 -0.7821 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5735 0.3708 -0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9992 1.5389 0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1960 1.7722 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8613 0.2693 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3467 -0.6706 -1.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4858 1.5464 -0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8309 -0.6028 3.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4521 3.5274 1.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4892 -1.7159 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0474 -1.6073 -1.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2046 -2.6307 -0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3609 -3.5026 -0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 -3.3412 1.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0236 -3.9971 0.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1252 2.0020 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9050 2.7691 -1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8679 0.0953 0.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3801 -0.3483 -1.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -0.8900 2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2942 -1.4723 3.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9032 0.1411 3.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7640 4.1653 0.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2464 3.4520 1.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5453 3.9288 1.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 3 24 1 0 0 0 0 4 23 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 7 15 2 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 9 26 1 0 0 0 0 10 19 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 16 20 2 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 19 23 1 0 0 0 0 20 33 1 0 0 0 0 21 24 2 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide

4.2 InChI

InChI=1S/C16H16Cl3F2N3O2/c1-8(4-10-12(18)5-9(17)6-13(10)19)24(26-3)16(25)11-7-23(2)22-14(11)15(20)21/h5-8,15H,4H2,1-3H3

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)