N-[2-methyl-3-(methylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C17H24ClN5O3S — CID 120936717

IUPACN-[2-methyl-3-(methylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCNS(=O)(=O)c1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1C.Cl
InChIInChI=1S/C17H23N5O3S.ClH/c1-13-14(5-3-6-15(13)26(24,25)18-2)21-16(23)17(7-10-19-11-8-17)22-12-4-9-20-22;/h3-6,9,12,18-19H,7-8,10-11H2,1-2H3,(H,21,23);1H
InChIKeyFCNSYJSKPKIJLY-UHFFFAOYSA-N
MW413.93 g/mol
LogP1.24
Rot. Bonds5

About N-[2-methyl-3-(methylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[2-methyl-3-(methylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120936717) has the molecular formula C17H24ClN5O3S and a molecular weight of 413.93 g/mol. Its IUPAC name is N-[2-methyl-3-(methylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-3-(methylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120936717
Molecular FormulaC17H24ClN5O3S
Molecular Weight413.93 g/mol
Exact Mass413.13
IUPAC NameN-[2-methyl-3-(methylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCNS(=O)(=O)c1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1C.Cl
InChIInChI=1S/C17H23N5O3S.ClH/c1-13-14(5-3-6-15(13)26(24,25)18-2)21-16(23)17(7-10-19-11-8-17)22-12-4-9-20-22;/h3-6,9,12,18-19H,7-8,10-11H2,1-2H3,(H,21,23);1H
InChIKeyFCNSYJSKPKIJLY-UHFFFAOYSA-N
XLogP1.24
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120943007
N-(2,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120916999
N-(2-fluoro-5-methylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917788
N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930988
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930278
N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930752
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120942474
N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120929446
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920388

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(methylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-methyl-3-(methylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120936717) is N-[2-methyl-3-(methylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-3-(methylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-methyl-3-(methylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CNS(=O)(=O)c1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1C.Cl.
What is the InChIKey of N-[2-methyl-3-(methylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is FCNSYJSKPKIJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S.ClH/c1-13-14(5-3-6-15(13)26(24,25)18-2)21-16(23)17(7-10-19-11-8-17)22-12-4-9-20-22;/h3-6,9,12,18-19H,7-8,10-11H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[2-methyl-3-(methylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[2-methyl-3-(methylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 413.93 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(methylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120936717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).