5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

C25H20F3N3O — CID 143069575

IUPAC5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C25H20F3N3O/c1-17-22(24(32)29-16-19-12-8-9-15-21(19)25(26,27)28)23(18-10-4-2-5-11-18)30-31(17)20-13-6-3-7-14-20/h2-15H,16H2,1H3,(H,29,32)
InChIKeyDNFGBLQQHZXBHH-UHFFFAOYSA-N
MW435.45 g/mol
LogP5.80
Rot. Bonds5

About 5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 143069575) has the molecular formula C25H20F3N3O and a molecular weight of 435.45 g/mol. Its IUPAC name is 5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID143069575
Molecular FormulaC25H20F3N3O
Molecular Weight435.45 g/mol
Exact Mass435.16
IUPAC Name5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C25H20F3N3O/c1-17-22(24(32)29-16-19-12-8-9-15-21(19)25(26,27)28)23(18-10-4-2-5-11-18)30-31(17)20-13-6-3-7-14-20/h2-15H,16H2,1H3,(H,29,32)
InChIKeyDNFGBLQQHZXBHH-UHFFFAOYSA-N
XLogP5.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.45
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473366
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19473385
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide
CID 4016241
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35762734
5-methyl-1,3-diphenylpyrazole-4-carboxylate
CID 4739263
5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide
CID 3079315
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
3,5-dimethyl-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 46678504
3,5-dimethyl-1-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 9142977

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 143069575) is 5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is DNFGBLQQHZXBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O/c1-17-22(24(32)29-16-19-12-8-9-15-21(19)25(26,27)28)23(18-10-4-2-5-11-18)30-31(17)20-13-6-3-7-14-20/h2-15H,16H2,1H3,(H,29,32).
What are the key properties of 5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 435.45 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 143069575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).