N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C18H13F4N3O — CID 16579165

IUPACN-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1F
InChIInChI=1S/C18H13F4N3O/c1-11-7-8-12(9-15(11)19)24-17(26)14-10-23-25(16(14)18(20,21)22)13-5-3-2-4-6-13/h2-10H,1H3,(H,24,26)
InChIKeyCXUJCEAHSZSHEI-UHFFFAOYSA-N
MW363.31 g/mol
LogP4.59
Rot. Bonds3

About N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 16579165) has the molecular formula C18H13F4N3O and a molecular weight of 363.31 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID16579165
Molecular FormulaC18H13F4N3O
Molecular Weight363.31 g/mol
Exact Mass363.10
IUPAC NameN-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1F
InChIInChI=1S/C18H13F4N3O/c1-11-7-8-12(9-15(11)19)24-17(26)14-10-23-25(16(14)18(20,21)22)13-5-3-2-4-6-13/h2-10H,1H3,(H,24,26)
InChIKeyCXUJCEAHSZSHEI-UHFFFAOYSA-N
XLogP4.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
5-methyl-N-[2-methyl-5-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide
CID 122189927
N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31786455
1-(4-methylphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51284928
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24665224
N-(4-methyl-2-oxochromen-7-yl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579201
N-(4-bromo-3-methylphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31784434
N-(3-acetamidophenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18270790
1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18228961
1-(4-methoxyphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 141265511
1-(4-chlorophenyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55817606
N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 1067712

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 16579165) is N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is CXUJCEAHSZSHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O/c1-11-7-8-12(9-15(11)19)24-17(26)14-10-23-25(16(14)18(20,21)22)13-5-3-2-4-6-13/h2-10H,1H3,(H,24,26).
What are the key properties of N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 363.31 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 16579165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).