1-(4-fluorophenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C23H20FN5O3S2 — CID 46691032

IUPAC1-(4-fluorophenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)n2)cc1
InChIInChI=1S/C23H20FN5O3S2/c1-34(31,32)28-16-9-5-14(6-10-16)19-13-33-23(25-19)26-22(30)21-18-3-2-4-20(18)29(27-21)17-11-7-15(24)8-12-17/h5-13,28H,2-4H2,1H3,(H,25,26,30)
InChIKeyINQNZRGACMFETC-UHFFFAOYSA-N
MW497.58 g/mol
LogP4.25
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 46691032) has the molecular formula C23H20FN5O3S2 and a molecular weight of 497.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID46691032
Molecular FormulaC23H20FN5O3S2
Molecular Weight497.58 g/mol
Exact Mass497.10
IUPAC Name1-(4-fluorophenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)n2)cc1
InChIInChI=1S/C23H20FN5O3S2/c1-34(31,32)28-16-9-5-14(6-10-16)19-13-33-23(25-19)26-22(30)21-18-3-2-4-20(18)29(27-21)17-11-7-15(24)8-12-17/h5-13,28H,2-4H2,1H3,(H,25,26,30)
InChIKeyINQNZRGACMFETC-UHFFFAOYSA-N
XLogP4.25
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 46691032) is 1-(4-fluorophenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)n2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is INQNZRGACMFETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3S2/c1-34(31,32)28-16-9-5-14(6-10-16)19-13-33-23(25-19)26-22(30)21-18-3-2-4-20(18)29(27-21)17-11-7-15(24)8-12-17/h5-13,28H,2-4H2,1H3,(H,25,26,30).
What are the key properties of 1-(4-fluorophenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 497.58 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 46691032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).