1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide

C16H14F3N5O — CID 35761971

IUPAC1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccn(C)n2)cc1
InChIInChI=1S/C16H14F3N5O/c1-10-9-14(16(17,18)19)22-24(10)12-5-3-11(4-6-12)20-15(25)13-7-8-23(2)21-13/h3-9H,1-2H3,(H,20,25)
InChIKeyRNQPDBVYKPHZBB-UHFFFAOYSA-N
MW349.32 g/mol
LogP3.19
Rot. Bonds3

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

1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide (PubChem CID 35761971) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is 1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide
PubChem CID35761971
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC Name1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccn(C)n2)cc1
InChIInChI=1S/C16H14F3N5O/c1-10-9-14(16(17,18)19)22-24(10)12-5-3-11(4-6-12)20-15(25)13-7-8-23(2)21-13/h3-9H,1-2H3,(H,20,25)
InChIKeyRNQPDBVYKPHZBB-UHFFFAOYSA-N
XLogP3.19
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide
CID 35531873
1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide
CID 19563725
1-(3-chlorophenyl)-3-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
CID 86344311
N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 573313
1-methyl-3-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiourea
CID 35766702
1-methyl-N-[4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 19530968
4-chloro-1-methyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481723
N-(1-methylpyrazol-3-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563695
4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 19616585
N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 106509676
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440296
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide
CID 10202049

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide (CID 35761971) is 1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide is Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccn(C)n2)cc1.
What is the InChIKey of 1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide?
The InChIKey is RNQPDBVYKPHZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c1-10-9-14(16(17,18)19)22-24(10)12-5-3-11(4-6-12)20-15(25)13-7-8-23(2)21-13/h3-9H,1-2H3,(H,20,25).
What are the key properties of 1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide?
1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide has a molecular weight of 349.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 35761971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).