3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide

C13H12N4O — CID 19399761

IUPAC3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide
SMILESCc1c(NC(=O)c2cccc(C#N)c2)cnn1C
InChIInChI=1S/C13H12N4O/c1-9-12(8-15-17(9)2)16-13(18)11-5-3-4-10(6-11)7-14/h3-6,8H,1-2H3,(H,16,18)
InChIKeyKPVICWVNXFNRJN-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.85
Rot. Bonds2

About 3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide

3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide (PubChem CID 19399761) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide
PubChem CID19399761
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide
SMILESCc1c(NC(=O)c2cccc(C#N)c2)cnn1C
InChIInChI=1S/C13H12N4O/c1-9-12(8-15-17(9)2)16-13(18)11-5-3-4-10(6-11)7-14/h3-6,8H,1-2H3,(H,16,18)
InChIKeyKPVICWVNXFNRJN-UHFFFAOYSA-N
XLogP1.85
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide 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

4-[(3-cyanobenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19339750
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide
CID 19411137
ethyl 5-[(3-cyanobenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108738870
3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 31520219
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide
CID 19339079
N-(2-chloro-4-methylphenyl)-3-cyanobenzamide
CID 7760531
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253
N-(4-bromo-2-methylphenyl)-3-cyanobenzamide
CID 18777750
3-[(3-cyanobenzoyl)amino]-2-methylbenzoic acid
CID 60748959
3-cyano-N-(2-iodophenyl)benzamide
CID 7900624
3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane
CID 145349636

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide?
The IUPAC name of 3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide (CID 19399761) is 3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide is Cc1c(NC(=O)c2cccc(C#N)c2)cnn1C.
What is the InChIKey of 3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide?
The InChIKey is KPVICWVNXFNRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9-12(8-15-17(9)2)16-13(18)11-5-3-4-10(6-11)7-14/h3-6,8H,1-2H3,(H,16,18).
What are the key properties of 3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide?
3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide has a molecular weight of 240.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 19399761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).