(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide

C25H28N4O5S — CID 2209639

IUPAC(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1
InChIInChI=1S/C25H28N4O5S/c1-15-13-16(2)23(17(3)14-15)35(33,34)29-20(11-12-21(29)30)24(31)26-22-18(4)27(5)28(25(22)32)19-9-7-6-8-10-19/h6-10,13-14,20H,11-12H2,1-5H3,(H,26,31)/t20-/m1/s1
InChIKeyFLPTXCFBJJZWAC-HXUWFJFHSA-N
MW496.59 g/mol
LogP2.73
Rot. Bonds5

About (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide

(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 2209639) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID2209639
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC Name(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1
InChIInChI=1S/C25H28N4O5S/c1-15-13-16(2)23(17(3)14-15)35(33,34)29-20(11-12-21(29)30)24(31)26-22-18(4)27(5)28(25(22)32)19-9-7-6-8-10-19/h6-10,13-14,20H,11-12H2,1-5H3,(H,26,31)/t20-/m1/s1
InChIKeyFLPTXCFBJJZWAC-HXUWFJFHSA-N
XLogP2.73
TPSA110.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
CID 5204075
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide
CID 119261452
5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
CID 110419517
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799589
cis-(1R,2S)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 1008555
1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide
CID 43926637
(3S)-1-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-3-carboxamide
CID 39877381
(2S,4S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methylpiperidine-4-carboxamide
CID 120615912
1-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide
CID 2321919
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-2-carboxamide
CID 119669112
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 2543092
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxopiperidine-3-carboxamide
CID 664928

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 2209639) is (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide is Cc1cc(C)c(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1.
What is the InChIKey of (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is FLPTXCFBJJZWAC-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H28N4O5S/c1-15-13-16(2)23(17(3)14-15)35(33,34)29-20(11-12-21(29)30)24(31)26-22-18(4)27(5)28(25(22)32)19-9-7-6-8-10-19/h6-10,13-14,20H,11-12H2,1-5H3,(H,26,31)/t20-/m1/s1.
What are the key properties of (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2209639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).