N-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C25H20N6O — CID 55948214

IUPACN-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H20N6O/c32-25(27-21-16-26-30(18-21)17-19-10-4-1-5-11-19)23-28-24(20-12-6-2-7-13-20)31(29-23)22-14-8-3-9-15-22/h1-16,18H,17H2,(H,27,32)
InChIKeyPIOUNQKQBMOQSG-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.43
Rot. Bonds6

About N-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 55948214) has the molecular formula C25H20N6O and a molecular weight of 420.48 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID55948214
Molecular FormulaC25H20N6O
Molecular Weight420.48 g/mol
Exact Mass420.17
IUPAC NameN-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H20N6O/c32-25(27-21-16-26-30(18-21)17-19-10-4-1-5-11-19)23-28-24(20-12-6-2-7-13-20)31(29-23)22-14-8-3-9-15-22/h1-16,18H,17H2,(H,27,32)
InChIKeyPIOUNQKQBMOQSG-UHFFFAOYSA-N
XLogP4.43
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
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3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 55948214) is N-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is PIOUNQKQBMOQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O/c32-25(27-21-16-26-30(18-21)17-19-10-4-1-5-11-19)23-28-24(20-12-6-2-7-13-20)31(29-23)22-14-8-3-9-15-22/h1-16,18H,17H2,(H,27,32).
What are the key properties of N-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 55948214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).