4-cyano-1,5-diphenylpyrazole-3-carboxamide

C17H12N4O — CID 68801651

IUPAC4-cyano-1,5-diphenylpyrazole-3-carboxamide
SMILESN#Cc1c(C(N)=O)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H12N4O/c18-11-14-15(17(19)22)20-21(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10H,(H2,19,22)
InChIKeyIOIDSDXSGIVMDJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.51
Rot. Bonds3

About 4-cyano-1,5-diphenylpyrazole-3-carboxamide

4-cyano-1,5-diphenylpyrazole-3-carboxamide (PubChem CID 68801651) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-cyano-1,5-diphenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-cyano-1,5-diphenylpyrazole-3-carboxamide
PubChem CID68801651
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name4-cyano-1,5-diphenylpyrazole-3-carboxamide
SMILESN#Cc1c(C(N)=O)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H12N4O/c18-11-14-15(17(19)22)20-21(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10H,(H2,19,22)
InChIKeyIOIDSDXSGIVMDJ-UHFFFAOYSA-N
XLogP2.51
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-1,5-diphenylpyrazole-3-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 4-cyano-1,5-diphenylpyrazole-3-carboxamide?
The IUPAC name of 4-cyano-1,5-diphenylpyrazole-3-carboxamide (CID 68801651) is 4-cyano-1,5-diphenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-cyano-1,5-diphenylpyrazole-3-carboxamide?
The canonical SMILES for 4-cyano-1,5-diphenylpyrazole-3-carboxamide is N#Cc1c(C(N)=O)nn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-cyano-1,5-diphenylpyrazole-3-carboxamide?
The InChIKey is IOIDSDXSGIVMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c18-11-14-15(17(19)22)20-21(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10H,(H2,19,22).
What are the key properties of 4-cyano-1,5-diphenylpyrazole-3-carboxamide?
4-cyano-1,5-diphenylpyrazole-3-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-1,5-diphenylpyrazole-3-carboxamide is sourced from PubChem (CID 68801651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).