N-[2-(4-chloro-3-fluorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazole-4-carboxamide;N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C56H40ClF14N9O3 — CID 87804310

IUPACN-[2-(4-chloro-3-fluorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazole-4-carboxamide;N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2cc(F)ccc2NC(=O)c2cn(C)nc2C(F)(F)F)cc1F.Cc1ccc(-c2cc(F)ccc2NC(=O)c2cn(C)nc2C(F)F)cc1F.Cn1cc(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)c(F)c2)c(C(F)(F)F)n1
InChIInChI=1S/C19H14F5N3O.C19H15F4N3O.C18H11ClF5N3O/c1-10-3-4-11(7-15(10)21)13-8-12(20)5-6-16(13)25-18(28)14-9-27(2)26-17(14)19(22,23)24;1-10-3-4-11(7-15(10)21)13-8-12(20)5-6-16(13)24-19(27)14-9-26(2)25-17(14)18(22)23;1-27-8-12(16(26-27)18(22,23)24)17(28)25-15-5-3-10(20)7-11(15)9-2-4-13(19)14(21)6-9/h3-9H,1-2H3,(H,25,28);3-9,18H,1-2H3,(H,24,27);2-8H,1H3,(H,25,28)
InChIKeyFKMSZLWSXQEMRK-UHFFFAOYSA-N
MW1188.42 g/mol
LogP15.10
Rot. Bonds10

About N-[2-(4-chloro-3-fluorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazole-4-carboxamide;N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[2-(4-chloro-3-fluorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazole-4-carboxamide;N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 87804310) has the molecular formula C56H40ClF14N9O3 and a molecular weight of 1188.42 g/mol. Its IUPAC name is N-[2-(4-chloro-3-fluorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazole-4-carboxamide;N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3-fluorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazole-4-carboxamide;N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID87804310
Molecular FormulaC56H40ClF14N9O3
Molecular Weight1188.42 g/mol
Exact Mass1187.27
IUPAC NameN-[2-(4-chloro-3-fluorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazole-4-carboxamide;N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2cc(F)ccc2NC(=O)c2cn(C)nc2C(F)(F)F)cc1F.Cc1ccc(-c2cc(F)ccc2NC(=O)c2cn(C)nc2C(F)F)cc1F.Cn1cc(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)c(F)c2)c(C(F)(F)F)n1
InChIInChI=1S/C19H14F5N3O.C19H15F4N3O.C18H11ClF5N3O/c1-10-3-4-11(7-15(10)21)13-8-12(20)5-6-16(13)25-18(28)14-9-27(2)26-17(14)19(22,23)24;1-10-3-4-11(7-15(10)21)13-8-12(20)5-6-16(13)24-19(27)14-9-26(2)25-17(14)18(22)23;1-27-8-12(16(26-27)18(22,23)24)17(28)25-15-5-3-10(20)7-11(15)9-2-4-13(19)14(21)6-9/h3-9H,1-2H3,(H,25,28);3-9,18H,1-2H3,(H,24,27);2-8H,1H3,(H,25,28)
InChIKeyFKMSZLWSXQEMRK-UHFFFAOYSA-N
XLogP15.10
TPSA140.76 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001188.42
LogP ≤ 515.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[2-(4-chloro-3-fluorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazole-4-carboxamide;N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide with MolForge

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Related Compounds

US10364238, Example 16
CID 121365003
US10364238, Example 17
CID 121365130
US10364238, Example 21
CID 121365161
US10364238, Example 23
CID 121365020
N-[2-(4-chlorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 11394350
N-(4'-chloro-3',5-difluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 11524105
N-[2-(4-chloro-2-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 11610589
N-[2-(3-chloro-4-fluorophenyl)-5-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 12090211
N-[2-(3-chloro-4-fluorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 12090213
N-[2-(3-chloro-4-fluorophenyl)-5-fluorophenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 12090217
N-[2-(3-chloro-4-fluorophenyl)-4-fluorophenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 12090218
N-[2-(3-chloro-4-fluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 16747770

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-fluorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazole-4-carboxamide;N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-chloro-3-fluorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazole-4-carboxamide;N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 87804310) is N-[2-(4-chloro-3-fluorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazole-4-carboxamide;N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-3-fluorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazole-4-carboxamide;N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chloro-3-fluorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazole-4-carboxamide;N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is Cc1ccc(-c2cc(F)ccc2NC(=O)c2cn(C)nc2C(F)(F)F)cc1F.Cc1ccc(-c2cc(F)ccc2NC(=O)c2cn(C)nc2C(F)F)cc1F.Cn1cc(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)c(F)c2)c(C(F)(F)F)n1.
What is the InChIKey of N-[2-(4-chloro-3-fluorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazole-4-carboxamide;N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is FKMSZLWSXQEMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F5N3O.C19H15F4N3O.C18H11ClF5N3O/c1-10-3-4-11(7-15(10)21)13-8-12(20)5-6-16(13)25-18(28)14-9-27(2)26-17(14)19(22,23)24;1-10-3-4-11(7-15(10)21)13-8-12(20)5-6-16(13)24-19(27)14-9-26(2)25-17(14)18(22)23;1-27-8-12(16(26-27)18(22,23)24)17(28)25-15-5-3-10(20)7-11(15)9-2-4-13(19)14(21)6-9/h3-9H,1-2H3,(H,25,28);3-9,18H,1-2H3,(H,24,27);2-8H,1H3,(H,25,28).
What are the key properties of N-[2-(4-chloro-3-fluorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazole-4-carboxamide;N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[2-(4-chloro-3-fluorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazole-4-carboxamide;N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 1188.42 g/mol, XLogP of 15.10, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-fluorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;3-(difluoromethyl)-N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methylpyrazole-4-carboxamide;N-[4-fluoro-2-(3-fluoro-4-methylphenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 87804310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).