(3R)-N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C24H32N4O4S — CID 31037563

IUPAC(3R)-N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2C[C@H](C(=O)Nc3cc(C(C)(C)C)nn3[C@H]3CCS(=O)(=O)C3)CC2=O)c1C
InChIInChI=1S/C24H32N4O4S/c1-15-7-6-8-19(16(15)2)27-13-17(11-22(27)29)23(30)25-21-12-20(24(3,4)5)26-28(21)18-9-10-33(31,32)14-18/h6-8,12,17-18H,9-11,13-14H2,1-5H3,(H,25,30)/t17-,18+/m1/s1
InChIKeyYZDFFUQQOTZZRJ-MSOLQXFVSA-N
MW472.61 g/mol
LogP3.15
Rot. Bonds4

About (3R)-N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 31037563) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is (3R)-N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID31037563
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC Name(3R)-N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2C[C@H](C(=O)Nc3cc(C(C)(C)C)nn3[C@H]3CCS(=O)(=O)C3)CC2=O)c1C
InChIInChI=1S/C24H32N4O4S/c1-15-7-6-8-19(16(15)2)27-13-17(11-22(27)29)23(30)25-21-12-20(24(3,4)5)26-28(21)18-9-10-33(31,32)14-18/h6-8,12,17-18H,9-11,13-14H2,1-5H3,(H,25,30)/t17-,18+/m1/s1
InChIKeyYZDFFUQQOTZZRJ-MSOLQXFVSA-N
XLogP3.15
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-[3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]cyclopropanecarboxamide
CID 42940634
N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]cyclobutanecarboxamide
CID 35785568
N-[3-tert-butyl-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]acetamide
CID 97028513
N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55572745
N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-4-methylbenzamide
CID 30400131
N-[3-tert-butyl-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-2-chlorobenzamide
CID 33365027
3-bromo-N-[3-tert-butyl-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]benzamide
CID 30372814
N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-3-fluorobenzamide
CID 25471752
1-(2,3-dimethylphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 46651550
(3S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7425535
N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide
CID 42731406
1-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 97209201

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 31037563) is (3R)-N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(N2C[C@H](C(=O)Nc3cc(C(C)(C)C)nn3[C@H]3CCS(=O)(=O)C3)CC2=O)c1C.
What is the InChIKey of (3R)-N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YZDFFUQQOTZZRJ-MSOLQXFVSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-15-7-6-8-19(16(15)2)27-13-17(11-22(27)29)23(30)25-21-12-20(24(3,4)5)26-28(21)18-9-10-33(31,32)14-18/h6-8,12,17-18H,9-11,13-14H2,1-5H3,(H,25,30)/t17-,18+/m1/s1.
What are the key properties of (3R)-N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 31037563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).