6,6-difluoro-1-(1,3-thiazol-2-yl)-5H-cyclopenta[d]pyrazol-4-one

C9H5F2N3OS — CID 178080294

IUPAC6,6-difluoro-1-(1,3-thiazol-2-yl)-5H-cyclopenta[d]pyrazol-4-one
SMILESO=C1CC(F)(F)c2c1cnn2-c1nccs1
InChIInChI=1S/C9H5F2N3OS/c10-9(11)3-6(15)5-4-13-14(7(5)9)8-12-1-2-16-8/h1-2,4H,3H2
InChIKeyJEJDTSLRGDRMSR-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.01
Rot. Bonds1

About 6,6-difluoro-1-(1,3-thiazol-2-yl)-5H-cyclopenta[d]pyrazol-4-one

6,6-difluoro-1-(1,3-thiazol-2-yl)-5H-cyclopenta[d]pyrazol-4-one (PubChem CID 178080294) has the molecular formula C9H5F2N3OS and a molecular weight of 241.22 g/mol. Its IUPAC name is 6,6-difluoro-1-(1,3-thiazol-2-yl)-5H-cyclopenta[d]pyrazol-4-one.

Molecular Properties

Compound Name6,6-difluoro-1-(1,3-thiazol-2-yl)-5H-cyclopenta[d]pyrazol-4-one
PubChem CID178080294
Molecular FormulaC9H5F2N3OS
Molecular Weight241.22 g/mol
Exact Mass241.01
IUPAC Name6,6-difluoro-1-(1,3-thiazol-2-yl)-5H-cyclopenta[d]pyrazol-4-one
SMILESO=C1CC(F)(F)c2c1cnn2-c1nccs1
InChIInChI=1S/C9H5F2N3OS/c10-9(11)3-6(15)5-4-13-14(7(5)9)8-12-1-2-16-8/h1-2,4H,3H2
InChIKeyJEJDTSLRGDRMSR-UHFFFAOYSA-N
XLogP2.01
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(1,3-thiazol-2-yl)spiro[1,3-dithiolane-2,6'-4,5-dihydrocyclopenta[d]pyrazole]
CID 178080325
3-methyl-5-(1,3-thiazol-2-yl)-[1,2]thiazolo[4,5-d]pyridazin-4-one
CID 167852082
ethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate
CID 14051868
2-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboxylic acid
CID 168950769
1-(1,3-thiazol-2-yl)pyrazolidin-3-one
CID 13081778
2-(1,3-thiazol-2-yl)pyrazol-3-amine
CID 82879868
5-ethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid
CID 176658912
6-methyl-1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82880801
2-(4-chloro-6-methylpyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole
CID 82880870
1-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
CID 82879754
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione
CID 3561841

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1-(1,3-thiazol-2-yl)-5H-cyclopenta[d]pyrazol-4-one?
The IUPAC name of 6,6-difluoro-1-(1,3-thiazol-2-yl)-5H-cyclopenta[d]pyrazol-4-one (CID 178080294) is 6,6-difluoro-1-(1,3-thiazol-2-yl)-5H-cyclopenta[d]pyrazol-4-one.
What is the SMILES notation for 6,6-difluoro-1-(1,3-thiazol-2-yl)-5H-cyclopenta[d]pyrazol-4-one?
The canonical SMILES for 6,6-difluoro-1-(1,3-thiazol-2-yl)-5H-cyclopenta[d]pyrazol-4-one is O=C1CC(F)(F)c2c1cnn2-c1nccs1.
What is the InChIKey of 6,6-difluoro-1-(1,3-thiazol-2-yl)-5H-cyclopenta[d]pyrazol-4-one?
The InChIKey is JEJDTSLRGDRMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N3OS/c10-9(11)3-6(15)5-4-13-14(7(5)9)8-12-1-2-16-8/h1-2,4H,3H2.
What are the key properties of 6,6-difluoro-1-(1,3-thiazol-2-yl)-5H-cyclopenta[d]pyrazol-4-one?
6,6-difluoro-1-(1,3-thiazol-2-yl)-5H-cyclopenta[d]pyrazol-4-one has a molecular weight of 241.22 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-1-(1,3-thiazol-2-yl)-5H-cyclopenta[d]pyrazol-4-one is sourced from PubChem (CID 178080294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).