3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide

C17H18N4O — CID 51145778

IUPAC3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccnn2C2CCCCC2)c1
InChIInChI=1S/C17H18N4O/c18-12-13-5-4-6-14(11-13)17(22)20-16-9-10-19-21(16)15-7-2-1-3-8-15/h4-6,9-11,15H,1-3,7-8H2,(H,20,22)
InChIKeyNTRJXMQJECSUMD-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.51
Rot. Bonds3

About 3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide

3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide (PubChem CID 51145778) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide
PubChem CID51145778
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccnn2C2CCCCC2)c1
InChIInChI=1S/C17H18N4O/c18-12-13-5-4-6-14(11-13)17(22)20-16-9-10-19-21(16)15-7-2-1-3-8-15/h4-6,9-11,15H,1-3,7-8H2,(H,20,22)
InChIKeyNTRJXMQJECSUMD-UHFFFAOYSA-N
XLogP3.51
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyano-N-(2-cyclohexylpyrazol-3-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

N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide
CID 51145870
N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide
CID 8890675
N-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide
CID 51192351
N-(2-cyclohexylpyrazol-3-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51312508
N-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 4849692
N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51145829
N-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide
CID 51231002
3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35324088
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide
CID 31976011
methyl 3-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-5-nitrobenzoate
CID 51145863
2-bromo-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51205719
2-chloro-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51145874

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide?
The IUPAC name of 3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide (CID 51145778) is 3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide is N#Cc1cccc(C(=O)Nc2ccnn2C2CCCCC2)c1.
What is the InChIKey of 3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide?
The InChIKey is NTRJXMQJECSUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c18-12-13-5-4-6-14(11-13)17(22)20-16-9-10-19-21(16)15-7-2-1-3-8-15/h4-6,9-11,15H,1-3,7-8H2,(H,20,22).
What are the key properties of 3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide?
3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide has a molecular weight of 294.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide is sourced from PubChem (CID 51145778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).