1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide

C12H10N6O — CID 43429821

IUPAC1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C12H10N6O/c19-12(15-9-6-13-14-7-9)11-8-18(17-16-11)10-4-2-1-3-5-10/h1-8H,(H,13,14)(H,15,19)
InChIKeyJHPNKDWWMPRNLN-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.24
Rot. Bonds3

About 1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide

1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide (PubChem CID 43429821) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide
PubChem CID43429821
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C12H10N6O/c19-12(15-9-6-13-14-7-9)11-8-18(17-16-11)10-4-2-1-3-5-10/h1-8H,(H,13,14)(H,15,19)
InChIKeyJHPNKDWWMPRNLN-UHFFFAOYSA-N
XLogP1.24
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide
CID 43429648
N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide
CID 39087725
3-[(1-phenyltriazole-4-carbonyl)amino]benzoic acid
CID 71942422
3-chloro-5-[(1-phenyltriazole-4-carbonyl)amino]benzoic acid
CID 146121578
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide
CID 83097160
1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide
CID 99586321
N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686504
N-(4-butylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686096
N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide
CID 46407148
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenyltriazole-4-carboxamide
CID 43546741
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-phenyltriazole-4-carboxamide
CID 115610229
N-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide
CID 46576505

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide (CID 43429821) is 1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide is O=C(Nc1cn[nH]c1)c1cn(-c2ccccc2)nn1.
What is the InChIKey of 1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide?
The InChIKey is JHPNKDWWMPRNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c19-12(15-9-6-13-14-7-9)11-8-18(17-16-11)10-4-2-1-3-5-10/h1-8H,(H,13,14)(H,15,19).
What are the key properties of 1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide?
1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide is sourced from PubChem (CID 43429821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).