1-(3,4-difluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C24H26F2N4O3S — CID 55773223

IUPAC1-(3,4-difluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2
InChIInChI=1S/C24H26F2N4O3S/c1-15(2)29-34(32,33)14-17-7-4-3-6-16(17)13-27-24(31)23-19-8-5-9-22(19)30(28-23)18-10-11-20(25)21(26)12-18/h3-4,6-7,10-12,15,29H,5,8-9,13-14H2,1-2H3,(H,27,31)
InChIKeyKQFAAUPKGLYUED-UHFFFAOYSA-N
MW488.56 g/mol
LogP3.40
Rot. Bonds8

About 1-(3,4-difluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(3,4-difluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 55773223) has the molecular formula C24H26F2N4O3S and a molecular weight of 488.56 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID55773223
Molecular FormulaC24H26F2N4O3S
Molecular Weight488.56 g/mol
Exact Mass488.17
IUPAC Name1-(3,4-difluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2
InChIInChI=1S/C24H26F2N4O3S/c1-15(2)29-34(32,33)14-17-7-4-3-6-16(17)13-27-24(31)23-19-8-5-9-22(19)30(28-23)18-10-11-20(25)21(26)12-18/h3-4,6-7,10-12,15,29H,5,8-9,13-14H2,1-2H3,(H,27,31)
InChIKeyKQFAAUPKGLYUED-UHFFFAOYSA-N
XLogP3.40
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-difluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 55773223) is 1-(3,4-difluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is KQFAAUPKGLYUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O3S/c1-15(2)29-34(32,33)14-17-7-4-3-6-16(17)13-27-24(31)23-19-8-5-9-22(19)30(28-23)18-10-11-20(25)21(26)12-18/h3-4,6-7,10-12,15,29H,5,8-9,13-14H2,1-2H3,(H,27,31).
What are the key properties of 1-(3,4-difluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(3,4-difluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 488.56 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55773223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).