1-(3-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-3-carboxamide

C19H19ClN6O — CID 55924269

IUPAC1-(3-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-3-carboxamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H19ClN6O/c20-14-4-1-6-16(12-14)26-11-7-17(24-26)18(27)23-15-5-2-10-25(13-15)19-21-8-3-9-22-19/h1,3-4,6-9,11-12,15H,2,5,10,13H2,(H,23,27)
InChIKeyVZNFKENFHKVYEC-UHFFFAOYSA-N
MW382.86 g/mol
LogP2.71
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-3-carboxamide

1-(3-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-3-carboxamide (PubChem CID 55924269) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-3-carboxamide
PubChem CID55924269
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC Name1-(3-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-3-carboxamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H19ClN6O/c20-14-4-1-6-16(12-14)26-11-7-17(24-26)18(27)23-15-5-2-10-25(13-15)19-21-8-3-9-22-19/h1,3-4,6-9,11-12,15H,2,5,10,13H2,(H,23,27)
InChIKeyVZNFKENFHKVYEC-UHFFFAOYSA-N
XLogP2.71
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229443
2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 42592251
(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 119173755
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993462
1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide
CID 55924272
[1-(3-chlorophenyl)pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110901194
1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide
CID 55924641
N-(1-cyclopropylpyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide
CID 51100168
5-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55802714
1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 94676392
N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide
CID 134363588
5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide
CID 60794005

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-3-carboxamide (CID 55924269) is 1-(3-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-3-carboxamide is O=C(NC1CCCN(c2ncccn2)C1)c1ccn(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-3-carboxamide?
The InChIKey is VZNFKENFHKVYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O/c20-14-4-1-6-16(12-14)26-11-7-17(24-26)18(27)23-15-5-2-10-25(13-15)19-21-8-3-9-22-19/h1,3-4,6-9,11-12,15H,2,5,10,13H2,(H,23,27).
What are the key properties of 1-(3-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-3-carboxamide?
1-(3-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-3-carboxamide has a molecular weight of 382.86 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 55924269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).