(3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one

C23H26N4O5S — CID 39965163

IUPAC(3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2c2c(C)nn(-c3ccccc3)c2C)cc1OC
InChIInChI=1S/C23H26N4O5S/c1-15-21(16(2)27(25-15)17-8-6-5-7-9-17)22-23(28)24-12-13-26(22)33(29,30)18-10-11-19(31-3)20(14-18)32-4/h5-11,14,22H,12-13H2,1-4H3,(H,24,28)/t22-/m1/s1
InChIKeyKMCGPMUEXCOCNZ-JOCHJYFZSA-N
MW470.55 g/mol
LogP2.37
Rot. Bonds6

About (3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one

(3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one (PubChem CID 39965163) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is (3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one
PubChem CID39965163
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name(3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2c2c(C)nn(-c3ccccc3)c2C)cc1OC
InChIInChI=1S/C23H26N4O5S/c1-15-21(16(2)27(25-15)17-8-6-5-7-9-17)22-23(28)24-12-13-26(22)33(29,30)18-10-11-19(31-3)20(14-18)32-4/h5-11,14,22H,12-13H2,1-4H3,(H,24,28)/t22-/m1/s1
InChIKeyKMCGPMUEXCOCNZ-JOCHJYFZSA-N
XLogP2.37
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one?
The IUPAC name of (3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one (CID 39965163) is (3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for (3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one?
The canonical SMILES for (3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one is COc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2c2c(C)nn(-c3ccccc3)c2C)cc1OC.
What is the InChIKey of (3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one?
The InChIKey is KMCGPMUEXCOCNZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-15-21(16(2)27(25-15)17-8-6-5-7-9-17)22-23(28)24-12-13-26(22)33(29,30)18-10-11-19(31-3)20(14-18)32-4/h5-11,14,22H,12-13H2,1-4H3,(H,24,28)/t22-/m1/s1.
What are the key properties of (3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one?
(3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one has a molecular weight of 470.55 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 39965163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).