[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone

C24H26N4O4S — CID 55862262

IUPAC[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
SMILESCc1ccc(O)c(S(=O)(=O)N2CCN(C(=O)c3nn(-c4ccccc4)c4c3CCC4)CC2)c1
InChIInChI=1S/C24H26N4O4S/c1-17-10-11-21(29)22(16-17)33(31,32)27-14-12-26(13-15-27)24(30)23-19-8-5-9-20(19)28(25-23)18-6-3-2-4-7-18/h2-4,6-7,10-11,16,29H,5,8-9,12-15H2,1H3
InChIKeyAPMAPQUNFBUWDV-UHFFFAOYSA-N
MW466.56 g/mol
LogP2.52
Rot. Bonds4

About [4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone

[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone (PubChem CID 55862262) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is [4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
PubChem CID55862262
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC Name[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
SMILESCc1ccc(O)c(S(=O)(=O)N2CCN(C(=O)c3nn(-c4ccccc4)c4c3CCC4)CC2)c1
InChIInChI=1S/C24H26N4O4S/c1-17-10-11-21(29)22(16-17)33(31,32)27-14-12-26(13-15-27)24(30)23-19-8-5-9-20(19)28(25-23)18-6-3-2-4-7-18/h2-4,6-7,10-11,16,29H,5,8-9,12-15H2,1H3
InChIKeyAPMAPQUNFBUWDV-UHFFFAOYSA-N
XLogP2.52
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone 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

4-methyl-5-[4-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16616069
phenyl-[4-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 46680389
2,2-dimethyl-1-[4-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 55774855
(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 16622795
[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 39714960
[4-(3,3-dimethylbutyl)piperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 55905678
[4-(methylamino)piperidin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 119560961
(3-methylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 119577575
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 55490174
1-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 119166353
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25443984
(4-aminopiperidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone;hydrochloride
CID 119373981

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone?
The IUPAC name of [4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone (CID 55862262) is [4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone?
The canonical SMILES for [4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone is Cc1ccc(O)c(S(=O)(=O)N2CCN(C(=O)c3nn(-c4ccccc4)c4c3CCC4)CC2)c1.
What is the InChIKey of [4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone?
The InChIKey is APMAPQUNFBUWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-17-10-11-21(29)22(16-17)33(31,32)27-14-12-26(13-15-27)24(30)23-19-8-5-9-20(19)28(25-23)18-6-3-2-4-7-18/h2-4,6-7,10-11,16,29H,5,8-9,12-15H2,1H3.
What are the key properties of [4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone?
[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone has a molecular weight of 466.56 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone is sourced from PubChem (CID 55862262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).