N-(1-benzyl-1,2,4-triazol-3-yl)-1,3-diphenylpyrazole-4-carboxamide

C25H20N6O — CID 19281399

IUPACN-(1-benzyl-1,2,4-triazol-3-yl)-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1ncn(Cc2ccccc2)n1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H20N6O/c32-24(27-25-26-18-30(29-25)16-19-10-4-1-5-11-19)22-17-31(21-14-8-3-9-15-21)28-23(22)20-12-6-2-7-13-20/h1-15,17-18H,16H2,(H,27,29,32)
InChIKeyCKQIFQARXLRLTI-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.43
Rot. Bonds6

About N-(1-benzyl-1,2,4-triazol-3-yl)-1,3-diphenylpyrazole-4-carboxamide

N-(1-benzyl-1,2,4-triazol-3-yl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 19281399) has the molecular formula C25H20N6O and a molecular weight of 420.48 g/mol. Its IUPAC name is N-(1-benzyl-1,2,4-triazol-3-yl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-1,2,4-triazol-3-yl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID19281399
Molecular FormulaC25H20N6O
Molecular Weight420.48 g/mol
Exact Mass420.17
IUPAC NameN-(1-benzyl-1,2,4-triazol-3-yl)-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1ncn(Cc2ccccc2)n1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H20N6O/c32-24(27-25-26-18-30(29-25)16-19-10-4-1-5-11-19)22-17-31(21-14-8-3-9-15-21)28-23(22)20-12-6-2-7-13-20/h1-15,17-18H,16H2,(H,27,29,32)
InChIKeyCKQIFQARXLRLTI-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

Analyze N-(1-benzyl-1,2,4-triazol-3-yl)-1,3-diphenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281392
3-(1-adamantyl)-N-(1-benzyl-1,2,4-triazol-3-yl)-1-phenylpyrazole-4-carboxamide
CID 19473794
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281350
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281327
1,3-diphenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19281381
N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281407
1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55969423
N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 18205042
1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide
CID 139226268
N-(1-benzyl-1,2,4-triazol-3-yl)-2,6-difluorobenzamide
CID 4867026
N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7914296
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-1,3-diphenylpyrazole-4-carboxamide (CID 19281399) is N-(1-benzyl-1,2,4-triazol-3-yl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-benzyl-1,2,4-triazol-3-yl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-benzyl-1,2,4-triazol-3-yl)-1,3-diphenylpyrazole-4-carboxamide is O=C(Nc1ncn(Cc2ccccc2)n1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(1-benzyl-1,2,4-triazol-3-yl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is CKQIFQARXLRLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O/c32-24(27-25-26-18-30(29-25)16-19-10-4-1-5-11-19)22-17-31(21-14-8-3-9-15-21)28-23(22)20-12-6-2-7-13-20/h1-15,17-18H,16H2,(H,27,29,32).
What are the key properties of N-(1-benzyl-1,2,4-triazol-3-yl)-1,3-diphenylpyrazole-4-carboxamide?
N-(1-benzyl-1,2,4-triazol-3-yl)-1,3-diphenylpyrazole-4-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-benzyl-1,2,4-triazol-3-yl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 19281399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).