1-(3,4-difluorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C22H20F2N4O2S — CID 55784529

IUPAC1-(3,4-difluorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)c3nn(-c4ccc(F)c(F)c4)c4c3CCC4)nc2C1
InChIInChI=1S/C22H20F2N4O2S/c1-22(2)9-15-19(17(29)10-22)31-21(25-15)26-20(30)18-12-4-3-5-16(12)28(27-18)11-6-7-13(23)14(24)8-11/h6-8H,3-5,9-10H2,1-2H3,(H,25,26,30)
InChIKeyFYQCYMKBGNORFM-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.50
Rot. Bonds3

About 1-(3,4-difluorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(3,4-difluorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 55784529) has the molecular formula C22H20F2N4O2S and a molecular weight of 442.49 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID55784529
Molecular FormulaC22H20F2N4O2S
Molecular Weight442.49 g/mol
Exact Mass442.13
IUPAC Name1-(3,4-difluorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)c3nn(-c4ccc(F)c(F)c4)c4c3CCC4)nc2C1
InChIInChI=1S/C22H20F2N4O2S/c1-22(2)9-15-19(17(29)10-22)31-21(25-15)26-20(30)18-12-4-3-5-16(12)28(27-18)11-6-7-13(23)14(24)8-11/h6-8H,3-5,9-10H2,1-2H3,(H,25,26,30)
InChIKeyFYQCYMKBGNORFM-UHFFFAOYSA-N
XLogP4.50
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3,4-difluorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide with MolForge

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Related Compounds

N-(2-benzamidophenyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55932728
1-(3,4-difluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 166205663
1-(3,4-difluorophenyl)-N-(4-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55773312
N-(1,3-benzodioxol-5-yl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46487658
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55784533
N-(3-aminopropyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119407715
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide
CID 18587211
N'-(4-chloro-1-methylpyrrole-2-carbonyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 47046902
1-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 120653318
1-(3,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 87043737
1-(3,4-difluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 126781032
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-methylimidazole-4-carboxamide
CID 154737728

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 55784529) is 1-(3,4-difluorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CC1(C)CC(=O)c2sc(NC(=O)c3nn(-c4ccc(F)c(F)c4)c4c3CCC4)nc2C1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is FYQCYMKBGNORFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2S/c1-22(2)9-15-19(17(29)10-22)31-21(25-15)26-20(30)18-12-4-3-5-16(12)28(27-18)11-6-7-13(23)14(24)8-11/h6-8H,3-5,9-10H2,1-2H3,(H,25,26,30).
What are the key properties of 1-(3,4-difluorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(3,4-difluorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55784529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).