N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C20H25ClN6O2 — CID 120916757

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1c(NC(=O)C2(n3cccn3)CCNCC2)c(=O)n(-c2ccccc2)n1C.Cl
InChIInChI=1S/C20H24N6O2.ClH/c1-15-17(18(27)26(24(15)2)16-7-4-3-5-8-16)23-19(28)20(9-12-21-13-10-20)25-14-6-11-22-25;/h3-8,11,14,21H,9-10,12-13H2,1-2H3,(H,23,28);1H
InChIKeyCLYPEFDZEPKEHA-UHFFFAOYSA-N
MW416.91 g/mol
LogP1.82
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120916757) has the molecular formula C20H25ClN6O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120916757
Molecular FormulaC20H25ClN6O2
Molecular Weight416.91 g/mol
Exact Mass416.17
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1c(NC(=O)C2(n3cccn3)CCNCC2)c(=O)n(-c2ccccc2)n1C.Cl
InChIInChI=1S/C20H24N6O2.ClH/c1-15-17(18(27)26(24(15)2)16-7-4-3-5-8-16)23-19(28)20(9-12-21-13-10-20)25-14-6-11-22-25;/h3-8,11,14,21H,9-10,12-13H2,1-2H3,(H,23,28);1H
InChIKeyCLYPEFDZEPKEHA-UHFFFAOYSA-N
XLogP1.82
TPSA85.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119669104
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(3R,5S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyladamantane-1-carboxamide
CID 27819709
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide
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N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
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N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(2-fluoro-5-methylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
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N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
2,2,2-trichloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 818335
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxopiperidine-3-carboxamide
CID 664928
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120916757) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cc1c(NC(=O)C2(n3cccn3)CCNCC2)c(=O)n(-c2ccccc2)n1C.Cl.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is CLYPEFDZEPKEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2.ClH/c1-15-17(18(27)26(24(15)2)16-7-4-3-5-8-16)23-19(28)20(9-12-21-13-10-20)25-14-6-11-22-25;/h3-8,11,14,21H,9-10,12-13H2,1-2H3,(H,23,28);1H.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 416.91 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120916757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).