1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide

C18H21ClN4O2 — CID 55924272

IUPAC1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide
SMILESO=C(NCCC(=O)N1CCCCC1)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H21ClN4O2/c19-14-5-4-6-15(13-14)23-12-8-16(21-23)18(25)20-9-7-17(24)22-10-2-1-3-11-22/h4-6,8,12-13H,1-3,7,9-11H2,(H,20,25)
InChIKeyCTKUOHOFQCDKPE-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.66
Rot. Bonds5

About 1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide

1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide (PubChem CID 55924272) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide
PubChem CID55924272
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide
SMILESO=C(NCCC(=O)N1CCCCC1)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H21ClN4O2/c19-14-5-4-6-15(13-14)23-12-8-16(21-23)18(25)20-9-7-17(24)22-10-2-1-3-11-22/h4-6,8,12-13H,1-3,7,9-11H2,(H,20,25)
InChIKeyCTKUOHOFQCDKPE-UHFFFAOYSA-N
XLogP2.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide
CID 55924641
1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 94676392
(3R)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 124576615
(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 119173755
1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119461402
N-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 47894388
[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea
CID 9208338
6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 103187315
2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157050
[1-(3-chlorophenyl)pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110901194
1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 55929884
N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 119621404

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide (CID 55924272) is 1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide is O=C(NCCC(=O)N1CCCCC1)c1ccn(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide?
The InChIKey is CTKUOHOFQCDKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c19-14-5-4-6-15(13-14)23-12-8-16(21-23)18(25)20-9-7-17(24)22-10-2-1-3-11-22/h4-6,8,12-13H,1-3,7,9-11H2,(H,20,25).
What are the key properties of 1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide?
1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 55924272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).