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

C17H23ClN4O2 — CID 119669104

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCc1c(NC(=O)C2(C)CCNC2)c(=O)n(-c2ccccc2)n1C.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-12-14(19-16(23)17(2)9-10-18-11-17)15(22)21(20(12)3)13-7-5-4-6-8-13;/h4-8,18H,9-11H2,1-3H3,(H,19,23);1H
InChIKeyDVKRLWUPDNSVBG-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.84
Rot. Bonds3

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

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119669104) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119669104
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCc1c(NC(=O)C2(C)CCNC2)c(=O)n(-c2ccccc2)n1C.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-12-14(19-16(23)17(2)9-10-18-11-17)15(22)21(20(12)3)13-7-5-4-6-8-13;/h4-8,18H,9-11H2,1-3H3,(H,19,23);1H
InChIKeyDVKRLWUPDNSVBG-UHFFFAOYSA-N
XLogP1.84
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide
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CID 23853815
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3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
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N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 66256845
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxopiperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride (CID 119669104) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride is Cc1c(NC(=O)C2(C)CCNC2)c(=O)n(-c2ccccc2)n1C.Cl.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is DVKRLWUPDNSVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-12-14(19-16(23)17(2)9-10-18-11-17)15(22)21(20(12)3)13-7-5-4-6-8-13;/h4-8,18H,9-11H2,1-3H3,(H,19,23);1H.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119669104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).