N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-phenyltriazole-4-carboxamide

C14H14N6O — CID 115610229

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-1-phenyltriazole-4-carboxamide
SMILESCc1[nH]nc(NC(=O)c2cn(-c3ccccc3)nn2)c1C
InChIInChI=1S/C14H14N6O/c1-9-10(2)16-18-13(9)15-14(21)12-8-20(19-17-12)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,15,16,18,21)
InChIKeyOSQYYKDRFDCHGB-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.86
Rot. Bonds3

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-phenyltriazole-4-carboxamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-phenyltriazole-4-carboxamide (PubChem CID 115610229) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-1-phenyltriazole-4-carboxamide
PubChem CID115610229
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-1-phenyltriazole-4-carboxamide
SMILESCc1[nH]nc(NC(=O)c2cn(-c3ccccc3)nn2)c1C
InChIInChI=1S/C14H14N6O/c1-9-10(2)16-18-13(9)15-14(21)12-8-20(19-17-12)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,15,16,18,21)
InChIKeyOSQYYKDRFDCHGB-UHFFFAOYSA-N
XLogP1.86
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-phenyltriazole-4-carboxamide (CID 115610229) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-phenyltriazole-4-carboxamide is Cc1[nH]nc(NC(=O)c2cn(-c3ccccc3)nn2)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-phenyltriazole-4-carboxamide?
The InChIKey is OSQYYKDRFDCHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-9-10(2)16-18-13(9)15-14(21)12-8-20(19-17-12)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,15,16,18,21).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-phenyltriazole-4-carboxamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-phenyltriazole-4-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 115610229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).