2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid

C11H8F3N3O2S — CID 17039042

IUPAC2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(C(F)(F)F)c3c2CCC3)n1
InChIInChI=1S/C11H8F3N3O2S/c12-11(13,14)8-5-2-1-3-7(5)17(16-8)10-15-6(4-20-10)9(18)19/h4H,1-3H2,(H,18,19)
InChIKeyBKYHNINZMJKRPI-UHFFFAOYSA-N
MW303.26 g/mol
LogP2.53
Rot. Bonds2

About 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid

2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 17039042) has the molecular formula C11H8F3N3O2S and a molecular weight of 303.26 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID17039042
Molecular FormulaC11H8F3N3O2S
Molecular Weight303.26 g/mol
Exact Mass303.03
IUPAC Name2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(C(F)(F)F)c3c2CCC3)n1
InChIInChI=1S/C11H8F3N3O2S/c12-11(13,14)8-5-2-1-3-7(5)17(16-8)10-15-6(4-20-10)9(18)19/h4H,1-3H2,(H,18,19)
InChIKeyBKYHNINZMJKRPI-UHFFFAOYSA-N
XLogP2.53
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetic acid
CID 50992931
2-[3-tert-butyl-5-(1,1,2,2-tetrafluoroethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 1498304
methyl 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carboxylate
CID 25015473
N-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 3159357
N-phenyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 4860978
2-[[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 71915479
2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568443
[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanol
CID 24825810
[2-chloro-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 25015616
N-methyl-N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]benzamide
CID 24826364
(2R)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanoic acid
CID 42573998
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 3464746

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 17039042) is 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-n2nc(C(F)(F)F)c3c2CCC3)n1.
What is the InChIKey of 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is BKYHNINZMJKRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2S/c12-11(13,14)8-5-2-1-3-7(5)17(16-8)10-15-6(4-20-10)9(18)19/h4H,1-3H2,(H,18,19).
What are the key properties of 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 303.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 17039042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).