3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride

C17H22Cl2N4O — CID 120597925

IUPAC3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2cn(C)nc2-c2ccccc2Cl)CCN1.Cl
InChIInChI=1S/C17H21ClN4O.ClH/c1-11-9-12(7-8-19-11)20-17(23)14-10-22(2)21-16(14)13-5-3-4-6-15(13)18;/h3-6,10-12,19H,7-9H2,1-2H3,(H,20,23);1H
InChIKeyAAIHRHVGNKOWLH-UHFFFAOYSA-N
MW369.30 g/mol
LogP3.03
Rot. Bonds3

About 3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride

3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 120597925) has the molecular formula C17H22Cl2N4O and a molecular weight of 369.30 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride
PubChem CID120597925
Molecular FormulaC17H22Cl2N4O
Molecular Weight369.30 g/mol
Exact Mass368.12
IUPAC Name3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2cn(C)nc2-c2ccccc2Cl)CCN1.Cl
InChIInChI=1S/C17H21ClN4O.ClH/c1-11-9-12(7-8-19-11)20-17(23)14-10-22(2)21-16(14)13-5-3-4-6-15(13)18;/h3-6,10-12,19H,7-9H2,1-2H3,(H,20,23);1H
InChIKeyAAIHRHVGNKOWLH-UHFFFAOYSA-N
XLogP3.03
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 119390437
5-(2-chlorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 120599794
1-tert-butyl-3-(2-chlorophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119449855
[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620567
3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120598744
3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 120601286
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide
CID 111471226
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
N-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 120600789
3-(4-methoxyphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 120602000
3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide
CID 56790848

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride (CID 120597925) is 3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride is CC1CC(NC(=O)c2cn(C)nc2-c2ccccc2Cl)CCN1.Cl.
What is the InChIKey of 3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is AAIHRHVGNKOWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O.ClH/c1-11-9-12(7-8-19-11)20-17(23)14-10-22(2)21-16(14)13-5-3-4-6-15(13)18;/h3-6,10-12,19H,7-9H2,1-2H3,(H,20,23);1H.
What are the key properties of 3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride?
3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 369.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120597925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).