5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide

C24H32N4O2 — CID 92591072

IUPAC5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCCN(C(=O)c1cn[nH]c1C1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C24H32N4O2/c1-2-28(20-11-7-4-8-12-20)24(30)21-17-25-26-22(21)18-13-15-27(16-14-18)23(29)19-9-5-3-6-10-19/h4,7-8,11-12,17-19H,2-3,5-6,9-10,13-16H2,1H3,(H,25,26)
InChIKeyMKYSJRKFCPSECS-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.36
Rot. Bonds5

About 5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide

5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 92591072) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
PubChem CID92591072
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCCN(C(=O)c1cn[nH]c1C1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C24H32N4O2/c1-2-28(20-11-7-4-8-12-20)24(30)21-17-25-26-22(21)18-13-15-27(16-14-18)23(29)19-9-5-3-6-10-19/h4,7-8,11-12,17-19H,2-3,5-6,9-10,13-16H2,1H3,(H,25,26)
InChIKeyMKYSJRKFCPSECS-UHFFFAOYSA-N
XLogP4.36
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 110084456
N-ethyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-N-phenyl-1H-pyrazole-4-carboxamide
CID 92591071
5-[1-(2-ethoxybenzoyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 92591087
cyclohexyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 92584391
cyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 92584390
5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 110083029
N-methyl-N-phenyl-5-[1-(4-pyridin-2-ylbutanoyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 92607650
N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147543
(1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 110082899
N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124998845
5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 92605973
1-[4-[4-(azepane-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 92576224

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide (CID 92591072) is 5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide is CCN(C(=O)c1cn[nH]c1C1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1.
What is the InChIKey of 5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is MKYSJRKFCPSECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-2-28(20-11-7-4-8-12-20)24(30)21-17-25-26-22(21)18-13-15-27(16-14-18)23(29)19-9-5-3-6-10-19/h4,7-8,11-12,17-19H,2-3,5-6,9-10,13-16H2,1H3,(H,25,26).
What are the key properties of 5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide?
5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 92591072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).