3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride

C22H24Cl2N4O — CID 120558047

IUPAC3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1.Cl
InChIInChI=1S/C22H23ClN4O.ClH/c1-15-13-24-12-11-20(15)25-22(28)19-14-27(18-5-3-2-4-6-18)26-21(19)16-7-9-17(23)10-8-16;/h2-10,14-15,20,24H,11-13H2,1H3,(H,25,28);1H
InChIKeyITJSRCKHKWQCEG-UHFFFAOYSA-N
MW431.37 g/mol
LogP4.34
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride

3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride (PubChem CID 120558047) has the molecular formula C22H24Cl2N4O and a molecular weight of 431.37 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
PubChem CID120558047
Molecular FormulaC22H24Cl2N4O
Molecular Weight431.37 g/mol
Exact Mass430.13
IUPAC Name3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1.Cl
InChIInChI=1S/C22H23ClN4O.ClH/c1-15-13-24-12-11-20(15)25-22(28)19-14-27(18-5-3-2-4-6-18)26-21(19)16-7-9-17(23)10-8-16;/h2-10,14-15,20,24H,11-13H2,1H3,(H,25,28);1H
InChIKeyITJSRCKHKWQCEG-UHFFFAOYSA-N
XLogP4.34
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120557405
3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126772957
3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119452890
3-(4-methoxyphenyl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide
CID 120577382
3-(5-methylfuran-2-yl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126775523
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 120557331
1-(3-chlorophenyl)-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride
CID 120556705
N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210094
5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120557411
N-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
CID 119601120
1-(4-methylphenyl)-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide
CID 119534696

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride (CID 120558047) is 3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride is CC1CNCCC1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1.Cl.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is ITJSRCKHKWQCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O.ClH/c1-15-13-24-12-11-20(15)25-22(28)19-14-27(18-5-3-2-4-6-18)26-21(19)16-7-9-17(23)10-8-16;/h2-10,14-15,20,24H,11-13H2,1H3,(H,25,28);1H.
What are the key properties of 3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 431.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120558047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).