4-(difluoromethylsulfonyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide

C20H17F2N3O3S — CID 55475933

IUPAC4-(difluoromethylsulfonyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C20H17F2N3O3S/c21-20(22)29(27,28)15-11-9-13(10-12-15)19(26)23-18-16-7-4-8-17(16)24-25(18)14-5-2-1-3-6-14/h1-3,5-6,9-12,20H,4,7-8H2,(H,23,26)
InChIKeyCVNFUNVHGIBIBJ-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.61
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide

4-(difluoromethylsulfonyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide (PubChem CID 55475933) has the molecular formula C20H17F2N3O3S and a molecular weight of 417.44 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
PubChem CID55475933
Molecular FormulaC20H17F2N3O3S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC Name4-(difluoromethylsulfonyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C20H17F2N3O3S/c21-20(22)29(27,28)15-11-9-13(10-12-15)19(26)23-18-16-7-4-8-17(16)24-25(18)14-5-2-1-3-6-14/h1-3,5-6,9-12,20H,4,7-8H2,(H,23,26)
InChIKeyCVNFUNVHGIBIBJ-UHFFFAOYSA-N
XLogP3.61
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide
CID 30177201
4-[methyl(phenyl)sulfamoyl]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30007162
3,4-difluoro-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 43036733
2-(difluoromethoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30007381
2-chloro-4-fluoro-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30007109
2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 51078002
3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 86775123
4,5-dichloro-1-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrrole-2-carboxamide
CID 56808607
3-chloro-4,5-dimethoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30007405
1-benzyl-6-oxo-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydropyridazine-3-carboxamide
CID 55758251
2-(methoxymethyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 48574488
1-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea
CID 163745333

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide (CID 55475933) is 4-(difluoromethylsulfonyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide is O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide?
The InChIKey is CVNFUNVHGIBIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3S/c21-20(22)29(27,28)15-11-9-13(10-12-15)19(26)23-18-16-7-4-8-17(16)24-25(18)14-5-2-1-3-6-14/h1-3,5-6,9-12,20H,4,7-8H2,(H,23,26).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide?
4-(difluoromethylsulfonyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide has a molecular weight of 417.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide is sourced from PubChem (CID 55475933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).