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

C14H14N6O — CID 43546741

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenyltriazole-4-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C14H14N6O/c1-9-13(10(2)17-16-9)15-14(21)12-8-20(19-18-12)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,21)(H,16,17)
InChIKeyYDSRNFHCUOYHPB-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.86
Rot. Bonds3

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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenyltriazole-4-carboxamide (PubChem CID 43546741) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenyltriazole-4-carboxamide
PubChem CID43546741
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenyltriazole-4-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C14H14N6O/c1-9-13(10(2)17-16-9)15-14(21)12-8-20(19-18-12)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,21)(H,16,17)
InChIKeyYDSRNFHCUOYHPB-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-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenyltriazole-4-carboxamide (CID 43546741) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenyltriazole-4-carboxamide is Cc1n[nH]c(C)c1NC(=O)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenyltriazole-4-carboxamide?
The InChIKey is YDSRNFHCUOYHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-9-13(10(2)17-16-9)15-14(21)12-8-20(19-18-12)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,21)(H,16,17).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenyltriazole-4-carboxamide?
N-(3,5-dimethyl-1H-pyrazol-4-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-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 43546741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).