1-(4-methylphenyl)-N-[3-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C21H22N4O3S — CID 46468575

IUPAC1-(4-methylphenyl)-N-[3-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)c1
InChIInChI=1S/C21H22N4O3S/c1-14-9-11-16(12-10-14)25-19-8-4-7-18(19)20(24-25)21(26)23-15-5-3-6-17(13-15)29(27,28)22-2/h3,5-6,9-13,22H,4,7-8H2,1-2H3,(H,23,26)
InChIKeyRMMKEFOOJCPILY-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.83
Rot. Bonds5

About 1-(4-methylphenyl)-N-[3-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(4-methylphenyl)-N-[3-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 46468575) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[3-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[3-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID46468575
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name1-(4-methylphenyl)-N-[3-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)c1
InChIInChI=1S/C21H22N4O3S/c1-14-9-11-16(12-10-14)25-19-8-4-7-18(19)20(24-25)21(26)23-15-5-3-6-17(13-15)29(27,28)22-2/h3,5-6,9-13,22H,4,7-8H2,1-2H3,(H,23,26)
InChIKeyRMMKEFOOJCPILY-UHFFFAOYSA-N
XLogP2.83
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 34271307
N-(3-fluorophenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25400778
1-(4-methylphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 37030532
N-(2-anilino-2-oxoethyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55957907
1-(4-fluorophenyl)-N-[3-(methylcarbamoyl)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16618962
N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55891896
N-(3-acetamidophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 18224743
N-[3-(carbamoylamino)phenyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55824157
N-[3-(benzenesulfonamido)phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55705967
N-[3-[ethyl(methyl)amino]phenyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 71881123
N-(3-bromophenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16581187
N-[3-[(2-methoxyacetyl)amino]phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46585012

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[3-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[3-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 46468575) is 1-(4-methylphenyl)-N-[3-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[3-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[3-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CNS(=O)(=O)c1cccc(NC(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)c1.
What is the InChIKey of 1-(4-methylphenyl)-N-[3-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is RMMKEFOOJCPILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-14-9-11-16(12-10-14)25-19-8-4-7-18(19)20(24-25)21(26)23-15-5-3-6-17(13-15)29(27,28)22-2/h3,5-6,9-13,22H,4,7-8H2,1-2H3,(H,23,26).
What are the key properties of 1-(4-methylphenyl)-N-[3-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(4-methylphenyl)-N-[3-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[3-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 46468575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).