1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride

C16H20Cl2N4O — CID 119461402

IUPAC1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H19ClN4O.ClH/c17-13-4-1-5-14(9-13)21-8-6-15(20-21)16(22)19-11-12-3-2-7-18-10-12;/h1,4-6,8-9,12,18H,2-3,7,10-11H2,(H,19,22);1H
InChIKeyRMDVKROXIZWDLS-UHFFFAOYSA-N
MW355.27 g/mol
LogP2.68
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride

1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 119461402) has the molecular formula C16H20Cl2N4O and a molecular weight of 355.27 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID119461402
Molecular FormulaC16H20Cl2N4O
Molecular Weight355.27 g/mol
Exact Mass354.10
IUPAC Name1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H19ClN4O.ClH/c17-13-4-1-5-14(9-13)21-8-6-15(20-21)16(22)19-11-12-3-2-7-18-10-12;/h1,4-6,8-9,12,18H,2-3,7,10-11H2,(H,19,22);1H
InChIKeyRMDVKROXIZWDLS-UHFFFAOYSA-N
XLogP2.68
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-5-(furan-2-yl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119462462
1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 94676392
1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide
CID 119557613
1-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 119463346
1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119461356
1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119429116
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 120660118
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
2-(2,6-dichlorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 166358028
3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119462686
N-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide
CID 119461275
1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide
CID 55924272

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride (CID 119461402) is 1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride is Cl.O=C(NCC1CCCNC1)c1ccn(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is RMDVKROXIZWDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O.ClH/c17-13-4-1-5-14(9-13)21-8-6-15(20-21)16(22)19-11-12-3-2-7-18-10-12;/h1,4-6,8-9,12,18H,2-3,7,10-11H2,(H,19,22);1H.
What are the key properties of 1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 355.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119461402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).