N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide

C17H22N4O — CID 120917006

IUPACN-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1C
InChIInChI=1S/C17H22N4O/c1-13-4-5-15(12-14(13)2)20-16(22)17(6-9-18-10-7-17)21-11-3-8-19-21/h3-5,8,11-12,18H,6-7,9-10H2,1-2H3,(H,20,22)
InChIKeyITZQVWVACJVGNP-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.22
Rot. Bonds3

About N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide

N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120917006) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120917006
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1C
InChIInChI=1S/C17H22N4O/c1-13-4-5-15(12-14(13)2)20-16(22)17(6-9-18-10-7-17)21-11-3-8-19-21/h3-5,8,11-12,18H,6-7,9-10H2,1-2H3,(H,20,22)
InChIKeyITZQVWVACJVGNP-UHFFFAOYSA-N
XLogP2.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920388
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921641
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930337
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(3-acetamido-4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120921193
N-(2,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120916999
N-(4-ethoxy-3-methoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919245
N-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921174
N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930988

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120917006) is N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide is Cc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is ITZQVWVACJVGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-4-5-15(12-14(13)2)20-16(22)17(6-9-18-10-7-17)21-11-3-8-19-21/h3-5,8,11-12,18H,6-7,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120917006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).