4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide

C17H18N4O — CID 126851731

IUPAC4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide
SMILESN#Cc1ccc(C(=O)NC2CCC(n3cccn3)CC2)cc1
InChIInChI=1S/C17H18N4O/c18-12-13-2-4-14(5-3-13)17(22)20-15-6-8-16(9-7-15)21-11-1-10-19-21/h1-5,10-11,15-16H,6-9H2,(H,20,22)
InChIKeyBIZDUWKJZNBBEB-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.67
Rot. Bonds3

About 4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide

4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide (PubChem CID 126851731) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide
PubChem CID126851731
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide
SMILESN#Cc1ccc(C(=O)NC2CCC(n3cccn3)CC2)cc1
InChIInChI=1S/C17H18N4O/c18-12-13-2-4-14(5-3-13)17(22)20-15-6-8-16(9-7-15)21-11-1-10-19-21/h1-5,10-11,15-16H,6-9H2,(H,20,22)
InChIKeyBIZDUWKJZNBBEB-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
CID 17463259
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide
CID 16567527
4-cyano-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7123831
4-cyano-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7123830
N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-cyanobenzamide
CID 31679594
4-oxo-N-(4-pyrazol-1-ylcyclohexyl)-3H-quinazoline-2-carboxamide
CID 175644530
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide
CID 24674040
6-[(4-cyanophenyl)methylamino]-N-cyclopropylpyridine-3-carboxamide
CID 167759595
4-cyano-N-(3,5-dimethylcyclohexyl)benzamide
CID 64724364
2-(4-fluorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide
CID 175640669
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide?
The IUPAC name of 4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide (CID 126851731) is 4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide.
What is the SMILES notation for 4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide?
The canonical SMILES for 4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide is N#Cc1ccc(C(=O)NC2CCC(n3cccn3)CC2)cc1.
What is the InChIKey of 4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide?
The InChIKey is BIZDUWKJZNBBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c18-12-13-2-4-14(5-3-13)17(22)20-15-6-8-16(9-7-15)21-11-1-10-19-21/h1-5,10-11,15-16H,6-9H2,(H,20,22).
What are the key properties of 4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide?
4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide has a molecular weight of 294.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide is sourced from PubChem (CID 126851731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).