3-(2-chlorophenyl)-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride

C16H20Cl2N4O — CID 119390437

IUPAC3-(2-chlorophenyl)-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCl.Cn1cc(C(=O)NC2CCNCC2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C16H19ClN4O.ClH/c1-21-10-13(16(22)19-11-6-8-18-9-7-11)15(20-21)12-4-2-3-5-14(12)17;/h2-5,10-11,18H,6-9H2,1H3,(H,19,22);1H
InChIKeyAFQACSXIYNMKLE-UHFFFAOYSA-N
MW355.27 g/mol
LogP2.64
Rot. Bonds3

About 3-(2-chlorophenyl)-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride

3-(2-chlorophenyl)-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119390437) has the molecular formula C16H20Cl2N4O and a molecular weight of 355.27 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID119390437
Molecular FormulaC16H20Cl2N4O
Molecular Weight355.27 g/mol
Exact Mass354.10
IUPAC Name3-(2-chlorophenyl)-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCl.Cn1cc(C(=O)NC2CCNCC2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C16H19ClN4O.ClH/c1-21-10-13(16(22)19-11-6-8-18-9-7-11)15(20-21)12-4-2-3-5-14(12)17;/h2-5,10-11,18H,6-9H2,1H3,(H,19,22);1H
InChIKeyAFQACSXIYNMKLE-UHFFFAOYSA-N
XLogP2.64
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride
CID 120597925
1-tert-butyl-3-(2-chlorophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119449855
1-methyl-3-(4-nitrophenyl)-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 119386681
3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 119387033
N-(2-amino-1-cyclopropylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 119617801
3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide
CID 111471226
N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 119592127
[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620567
3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide
CID 56790848
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119555330
3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107098265

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 3-(2-chlorophenyl)-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (CID 119390437) is 3-(2-chlorophenyl)-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 3-(2-chlorophenyl)-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 3-(2-chlorophenyl)-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is Cl.Cn1cc(C(=O)NC2CCNCC2)c(-c2ccccc2Cl)n1.
What is the InChIKey of 3-(2-chlorophenyl)-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is AFQACSXIYNMKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O.ClH/c1-21-10-13(16(22)19-11-6-8-18-9-7-11)15(20-21)12-4-2-3-5-14(12)17;/h2-5,10-11,18H,6-9H2,1H3,(H,19,22);1H.
What are the key properties of 3-(2-chlorophenyl)-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
3-(2-chlorophenyl)-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 355.27 g/mol, XLogP of 2.64, 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-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119390437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).