(3S)-1-(3-chlorophenyl)-N-(2-cyclohexylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C20H23ClN4O2 — CID 51935544

IUPAC(3S)-1-(3-chlorophenyl)-N-(2-cyclohexylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCCCC1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C20H23ClN4O2/c21-15-5-4-8-17(12-15)24-13-14(11-19(24)26)20(27)23-18-9-10-22-25(18)16-6-2-1-3-7-16/h4-5,8-10,12,14,16H,1-3,6-7,11,13H2,(H,23,27)/t14-/m0/s1
InChIKeyXQBPHOLEDRPGKG-AWEZNQCLSA-N
MW386.88 g/mol
LogP4.03
Rot. Bonds4

About (3S)-1-(3-chlorophenyl)-N-(2-cyclohexylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(3-chlorophenyl)-N-(2-cyclohexylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 51935544) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is (3S)-1-(3-chlorophenyl)-N-(2-cyclohexylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-chlorophenyl)-N-(2-cyclohexylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID51935544
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name(3S)-1-(3-chlorophenyl)-N-(2-cyclohexylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCCCC1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C20H23ClN4O2/c21-15-5-4-8-17(12-15)24-13-14(11-19(24)26)20(27)23-18-9-10-22-25(18)16-6-2-1-3-7-16/h4-5,8-10,12,14,16H,1-3,6-7,11,13H2,(H,23,27)/t14-/m0/s1
InChIKeyXQBPHOLEDRPGKG-AWEZNQCLSA-N
XLogP4.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-3-methylphenyl)-N-(2-cyclopentylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 55583267
1-(3-chlorophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42953054
(3R)-1-(3-chlorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2236459
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585
1-(3-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187439
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46547114
(3S)-N-(3-chloro-2-methylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40977091
1-(3-chlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 17322003
1-(3-chlorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46585961
1-(3-chlorophenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46585581
4-[[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9004855
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586062

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-chlorophenyl)-N-(2-cyclohexylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-chlorophenyl)-N-(2-cyclohexylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 51935544) is (3S)-1-(3-chlorophenyl)-N-(2-cyclohexylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-chlorophenyl)-N-(2-cyclohexylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-chlorophenyl)-N-(2-cyclohexylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccnn1C1CCCCC1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1.
What is the InChIKey of (3S)-1-(3-chlorophenyl)-N-(2-cyclohexylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XQBPHOLEDRPGKG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c21-15-5-4-8-17(12-15)24-13-14(11-19(24)26)20(27)23-18-9-10-22-25(18)16-6-2-1-3-7-16/h4-5,8-10,12,14,16H,1-3,6-7,11,13H2,(H,23,27)/t14-/m0/s1.
What are the key properties of (3S)-1-(3-chlorophenyl)-N-(2-cyclohexylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(3-chlorophenyl)-N-(2-cyclohexylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chlorophenyl)-N-(2-cyclohexylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51935544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).