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

C13H12F3N3O — CID 47001916

IUPAC1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)n(C)n2)cc1
InChIInChI=1S/C13H12F3N3O/c1-8-3-5-9(6-4-8)17-12(20)10-7-11(13(14,15)16)19(2)18-10/h3-7H,1-2H3,(H,17,20)
InChIKeyFVFZTMBALIRIGO-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.00
Rot. Bonds2

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

1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 47001916) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID47001916
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)n(C)n2)cc1
InChIInChI=1S/C13H12F3N3O/c1-8-3-5-9(6-4-8)17-12(20)10-7-11(13(14,15)16)19(2)18-10/h3-7H,1-2H3,(H,17,20)
InChIKeyFVFZTMBALIRIGO-UHFFFAOYSA-N
XLogP3.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47001423
1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
CID 679026
N-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267595
1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
CID 46270511
N-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267596
N-(2-chloro-4-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 50945386
5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 42879083
4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 113263077
5-(4-bromophenyl)-N-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1111207
5-(4-fluoro-3-methylphenyl)-1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299644
1-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267667
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 19297129

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 47001916) is 1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(C(F)(F)F)n(C)n2)cc1.
What is the InChIKey of 1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is FVFZTMBALIRIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-8-3-5-9(6-4-8)17-12(20)10-7-11(13(14,15)16)19(2)18-10/h3-7H,1-2H3,(H,17,20).
What are the key properties of 1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 283.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 47001916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).