1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride

C15H19ClN4O — CID 119429116

IUPAC1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O.ClH/c20-15(17-12-5-4-9-16-11-12)14-8-10-19(18-14)13-6-2-1-3-7-13;/h1-3,6-8,10,12,16H,4-5,9,11H2,(H,17,20);1H
InChIKeyQACCIFWUJSPVHC-UHFFFAOYSA-N
MW306.80 g/mol
LogP1.78
Rot. Bonds3

About 1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride

1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride (PubChem CID 119429116) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride
PubChem CID119429116
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O.ClH/c20-15(17-12-5-4-9-16-11-12)14-8-10-19(18-14)13-6-2-1-3-7-13;/h1-3,6-8,10,12,16H,4-5,9,11H2,(H,17,20);1H
InChIKeyQACCIFWUJSPVHC-UHFFFAOYSA-N
XLogP1.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119390442
3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
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CID 119621404
N-(1-cyclopropylpyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide
CID 51100168
N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide
CID 134363588
1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride
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N-[(3R)-piperidin-3-yl]quinoxaline-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride (CID 119429116) is 1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride is Cl.O=C(NC1CCCNC1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is QACCIFWUJSPVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.ClH/c20-15(17-12-5-4-9-16-11-12)14-8-10-19(18-14)13-6-2-1-3-7-13;/h1-3,6-8,10,12,16H,4-5,9,11H2,(H,17,20);1H.
What are the key properties of 1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride?
1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 306.80 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119429116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).