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

C19H16F3N3O — CID 110299441

IUPAC1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)nn2C)cc1
InChIInChI=1S/C19H16F3N3O/c1-12-7-9-13(10-8-12)17-11-16(24-25(17)2)18(26)23-15-6-4-3-5-14(15)19(20,21)22/h3-11H,1-2H3,(H,23,26)
InChIKeyVUQJZNOBPXWWQZ-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.67
Rot. Bonds3

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

1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 110299441) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID110299441
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)nn2C)cc1
InChIInChI=1S/C19H16F3N3O/c1-12-7-9-13(10-8-12)17-11-16(24-25(17)2)18(26)23-15-6-4-3-5-14(15)19(20,21)22/h3-11H,1-2H3,(H,23,26)
InChIKeyVUQJZNOBPXWWQZ-UHFFFAOYSA-N
XLogP4.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 90271500
1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42161810
2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 110691495
N-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 110858370
N-(2,4-difluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 90271499
3-N,5-N-bis(2-tert-butylphenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097819
5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110299626
N-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 110615090
5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 42879083
5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 110615690
6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 110860737
(5S,7R)-5-(4-methylphenyl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 136853124

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 110299441) is 1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)nn2C)cc1.
What is the InChIKey of 1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is VUQJZNOBPXWWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-12-7-9-13(10-8-12)17-11-16(24-25(17)2)18(26)23-15-6-4-3-5-14(15)19(20,21)22/h3-11H,1-2H3,(H,23,26).
What are the key properties of 1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 359.35 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 110299441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).