3-methyl-1-phenyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide

C13H12N6O — CID 155944724

IUPAC3-methyl-1-phenyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)cc1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C13H12N6O/c1-9-11(12(20)16-13-14-8-15-17-13)7-19(18-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,14,15,16,17,20)
InChIKeyYBIPTONACUXJAE-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.55
Rot. Bonds3

About 3-methyl-1-phenyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide

3-methyl-1-phenyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide (PubChem CID 155944724) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-methyl-1-phenyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-1-phenyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
PubChem CID155944724
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name3-methyl-1-phenyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)cc1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C13H12N6O/c1-9-11(12(20)16-13-14-8-15-17-13)7-19(18-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,14,15,16,17,20)
InChIKeyYBIPTONACUXJAE-UHFFFAOYSA-N
XLogP1.55
TPSA88.49 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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
CID 30866504
2-methylsulfanyl-3-phenyl-N-(1H-1,2,4-triazol-5-yl)imidazole-4-carboxamide
CID 30864717
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 45285661
2-cyclopropyl-2-[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 119213678
1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide
CID 52575128
3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120598744
1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide
CID 139226268
3-[methyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119232920
3-methyl-1-phenylpyrazole-4-carbothioamide
CID 15166191
1-[[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544806
N-(5-fluoro-2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7777734
methyl (3-methyl-1-phenylpyrazol-4-yl) carbonate
CID 67453633

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-methyl-1-phenyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide (CID 155944724) is 3-methyl-1-phenyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-1-phenyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-1-phenyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide is Cc1nn(-c2ccccc2)cc1C(=O)Nc1ncn[nH]1.
What is the InChIKey of 3-methyl-1-phenyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide?
The InChIKey is YBIPTONACUXJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-9-11(12(20)16-13-14-8-15-17-13)7-19(18-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,14,15,16,17,20).
What are the key properties of 3-methyl-1-phenyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide?
3-methyl-1-phenyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 155944724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).