N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide

C21H28N4O — CID 24794158

IUPACN-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(C2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C21H28N4O/c26-21(17-7-3-1-4-8-17)23-20-11-14-22-25(20)19-12-15-24(16-13-19)18-9-5-2-6-10-18/h1,3-4,7-8,11,14,18-19H,2,5-6,9-10,12-13,15-16H2,(H,23,26)
InChIKeyCPBRWRIKDCJSJV-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.11
Rot. Bonds4

About N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide

N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide (PubChem CID 24794158) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide
PubChem CID24794158
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(C2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C21H28N4O/c26-21(17-7-3-1-4-8-17)23-20-11-14-22-25(20)19-12-15-24(16-13-19)18-9-5-2-6-10-18/h1,3-4,7-8,11,14,18-19H,2,5-6,9-10,12-13,15-16H2,(H,23,26)
InChIKeyCPBRWRIKDCJSJV-UHFFFAOYSA-N
XLogP4.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145839
N-[2-(1-cyclopentylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide
CID 25294061
N-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide
CID 24816610
N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 25383421
N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51145829
(2R)-N-[2-(1-cyclopentylpiperidin-4-yl)pyrazol-3-yl]-2-methoxy-2-phenylacetamide
CID 25367005
N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide
CID 51145870
N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide
CID 78793945
N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42211407
3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145778
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide?
The IUPAC name of N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide (CID 24794158) is N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide?
The canonical SMILES for N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide is O=C(Nc1ccnn1C1CCN(C2CCCCC2)CC1)c1ccccc1.
What is the InChIKey of N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide?
The InChIKey is CPBRWRIKDCJSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c26-21(17-7-3-1-4-8-17)23-20-11-14-22-25(20)19-12-15-24(16-13-19)18-9-5-2-6-10-18/h1,3-4,7-8,11,14,18-19H,2,5-6,9-10,12-13,15-16H2,(H,23,26).
What are the key properties of N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide?
N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 24794158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).