N,3-diphenyl-1H-pyrazole-5-carboxamide

C16H13N3O — CID 777792

IUPACN,3-diphenyl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H13N3O/c20-16(17-13-9-5-2-6-10-13)15-11-14(18-19-15)12-7-3-1-4-8-12/h1-11H,(H,17,20)(H,18,19)
InChIKeyYGEVXBOQFXDNME-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.33
Rot. Bonds3

About N,3-diphenyl-1H-pyrazole-5-carboxamide

N,3-diphenyl-1H-pyrazole-5-carboxamide (PubChem CID 777792) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is N,3-diphenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,3-diphenyl-1H-pyrazole-5-carboxamide
PubChem CID777792
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC NameN,3-diphenyl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H13N3O/c20-16(17-13-9-5-2-6-10-13)15-11-14(18-19-15)12-7-3-1-4-8-12/h1-11H,(H,17,20)(H,18,19)
InChIKeyYGEVXBOQFXDNME-UHFFFAOYSA-N
XLogP3.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N,3-diphenyl-1H-pyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,3-diphenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N,3-diphenyl-1H-pyrazole-5-carboxamide (CID 777792) is N,3-diphenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N,3-diphenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N,3-diphenyl-1H-pyrazole-5-carboxamide is O=C(Nc1ccccc1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N,3-diphenyl-1H-pyrazole-5-carboxamide?
The InChIKey is YGEVXBOQFXDNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16(17-13-9-5-2-6-10-13)15-11-14(18-19-15)12-7-3-1-4-8-12/h1-11H,(H,17,20)(H,18,19).
What are the key properties of N,3-diphenyl-1H-pyrazole-5-carboxamide?
N,3-diphenyl-1H-pyrazole-5-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diphenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 777792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).