(3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide

C18H28N4O4S — CID 124806697

IUPAC(3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)n1
InChIInChI=1S/C18H28N4O4S/c1-12(9-22-14(3)6-13(2)20-22)8-19-18(24)15-7-17(23)21(10-15)16-4-5-27(25,26)11-16/h6,12,15-16H,4-5,7-11H2,1-3H3,(H,19,24)/t12-,15-,16+/m1/s1
InChIKeyOUKPULRSQBWQHI-WQVCFCJDSA-N
MW396.51 g/mol
LogP0.29
Rot. Bonds6

About (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 124806697) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID124806697
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC Name(3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)n1
InChIInChI=1S/C18H28N4O4S/c1-12(9-22-14(3)6-13(2)20-22)8-19-18(24)15-7-17(23)21(10-15)16-4-5-27(25,26)11-16/h6,12,15-16H,4-5,7-11H2,1-3H3,(H,19,24)/t12-,15-,16+/m1/s1
InChIKeyOUKPULRSQBWQHI-WQVCFCJDSA-N
XLogP0.29
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 35439776
1-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[[(3R)-1,1-dioxothiolan-3-yl]methyl]urea
CID 94178790
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55744996
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 94177997
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567769
(3R)-N-(2-cyclopentylethyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 94022696
1-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113184750
1-cyclopropyl-N-[(2R)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 83032066
N-(2,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184794
1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 110687444
1-(1,1-dioxothiolan-3-yl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113184749
N-[2-(4-chlorophenyl)ethyl]-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184770

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 124806697) is (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)n(C[C@H](C)CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)n1.
What is the InChIKey of (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OUKPULRSQBWQHI-WQVCFCJDSA-N. The full InChI is InChI=1S/C18H28N4O4S/c1-12(9-22-14(3)6-13(2)20-22)8-19-18(24)15-7-17(23)21(10-15)16-4-5-27(25,26)11-16/h6,12,15-16H,4-5,7-11H2,1-3H3,(H,19,24)/t12-,15-,16+/m1/s1.
What are the key properties of (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124806697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).