5-(5-methyl-2-pyrazol-1-ylphenyl)-2H-triazole-4-carboxamide

C13H12N6O — CID 169403148

IUPAC5-(5-methyl-2-pyrazol-1-ylphenyl)-2H-triazole-4-carboxamide
SMILESCc1ccc(-n2cccn2)c(-c2n[nH]nc2C(N)=O)c1
InChIInChI=1S/C13H12N6O/c1-8-3-4-10(19-6-2-5-15-19)9(7-8)11-12(13(14)20)17-18-16-11/h2-7H,1H3,(H2,14,20)(H,16,17,18)
InChIKeyRXROTZDJOFCHNI-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.06
Rot. Bonds3

About 5-(5-methyl-2-pyrazol-1-ylphenyl)-2H-triazole-4-carboxamide

5-(5-methyl-2-pyrazol-1-ylphenyl)-2H-triazole-4-carboxamide (PubChem CID 169403148) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-(5-methyl-2-pyrazol-1-ylphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(5-methyl-2-pyrazol-1-ylphenyl)-2H-triazole-4-carboxamide
PubChem CID169403148
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name5-(5-methyl-2-pyrazol-1-ylphenyl)-2H-triazole-4-carboxamide
SMILESCc1ccc(-n2cccn2)c(-c2n[nH]nc2C(N)=O)c1
InChIInChI=1S/C13H12N6O/c1-8-3-4-10(19-6-2-5-15-19)9(7-8)11-12(13(14)20)17-18-16-11/h2-7H,1H3,(H2,14,20)(H,16,17,18)
InChIKeyRXROTZDJOFCHNI-UHFFFAOYSA-N
XLogP1.06
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(5-methyl-2-pyrazol-1-ylphenyl)-2H-triazole-4-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

4-methyl-2-pyrazol-1-ylbenzamide
CID 63810394
5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402321
5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide
CID 169402107
1-(2,4-dimethylphenyl)pyrazole
CID 13066329
1-[2-(bromomethyl)-4-methylphenyl]pyrazole
CID 106765702
5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine
CID 72868725
5-(2,4,5-trifluorophenyl)-2H-triazole-4-carboxamide
CID 169402152
1-(2-bromo-5-methylphenyl)pyrazole
CID 130121317
5-(1,4-dimethyl-9H-carbazol-3-yl)-2H-triazole-4-carboxamide
CID 169403288
5-(2-hydroxy-3-propan-2-ylphenyl)-2H-triazole-4-carboxamide
CID 169404898
4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 77087015
5-(4-bromo-2-piperidin-1-ylphenyl)-2H-triazole-4-carboxamide
CID 169404657

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-2-pyrazol-1-ylphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(5-methyl-2-pyrazol-1-ylphenyl)-2H-triazole-4-carboxamide (CID 169403148) is 5-(5-methyl-2-pyrazol-1-ylphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(5-methyl-2-pyrazol-1-ylphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(5-methyl-2-pyrazol-1-ylphenyl)-2H-triazole-4-carboxamide is Cc1ccc(-n2cccn2)c(-c2n[nH]nc2C(N)=O)c1.
What is the InChIKey of 5-(5-methyl-2-pyrazol-1-ylphenyl)-2H-triazole-4-carboxamide?
The InChIKey is RXROTZDJOFCHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-8-3-4-10(19-6-2-5-15-19)9(7-8)11-12(13(14)20)17-18-16-11/h2-7H,1H3,(H2,14,20)(H,16,17,18).
What are the key properties of 5-(5-methyl-2-pyrazol-1-ylphenyl)-2H-triazole-4-carboxamide?
5-(5-methyl-2-pyrazol-1-ylphenyl)-2H-triazole-4-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-2-pyrazol-1-ylphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).