3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride

C17H23ClN4O — CID 119424409

IUPAC3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12-16(17(22)19-14-7-6-10-18-11-14)13(2)21(20-12)15-8-4-3-5-9-15;/h3-5,8-9,14,18H,6-7,10-11H2,1-2H3,(H,19,22);1H
InChIKeyCDLYNYVSRRLUHR-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.39
Rot. Bonds3

About 3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride

3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119424409) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID119424409
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12-16(17(22)19-14-7-6-10-18-11-14)13(2)21(20-12)15-8-4-3-5-9-15;/h3-5,8-9,14,18H,6-7,10-11H2,1-2H3,(H,19,22);1H
InChIKeyCDLYNYVSRRLUHR-UHFFFAOYSA-N
XLogP2.39
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507
3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460021
5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119427580
3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 46566455
2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985
1-(4-fluorophenyl)-3,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride
CID 120553626
1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119429116
N-cyclopropyl-5-ethyl-3-methyl-1-phenylpyrazole-4-carboxamide
CID 42818280
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide
CID 119275721
N-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119477007
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 41410768
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7557147

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride (CID 119424409) is 3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride is Cc1nn(-c2ccccc2)c(C)c1C(=O)NC1CCCNC1.Cl.
What is the InChIKey of 3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is CDLYNYVSRRLUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-12-16(17(22)19-14-7-6-10-18-11-14)13(2)21(20-12)15-8-4-3-5-9-15;/h3-5,8-9,14,18H,6-7,10-11H2,1-2H3,(H,19,22);1H.
What are the key properties of 3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride?
3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119424409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).