(4S)-5-fluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol

C12H14F4N2O2 — CID 168761808

IUPAC(4S)-5-fluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
SMILESO[C@H]1c2c(C(F)(F)F)nn(C3CCCCO3)c2CC1F
InChIInChI=1S/C12H14F4N2O2/c13-6-5-7-9(10(6)19)11(12(14,15)16)17-18(7)8-3-1-2-4-20-8/h6,8,10,19H,1-5H2/t6?,8?,10-/m1/s1
InChIKeyZGSLKLFQSRMXSX-PCWHVXPSSA-N
MW294.25 g/mol
LogP2.53
Rot. Bonds1

About (4S)-5-fluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol

(4S)-5-fluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol (PubChem CID 168761808) has the molecular formula C12H14F4N2O2 and a molecular weight of 294.25 g/mol. Its IUPAC name is (4S)-5-fluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol.

Molecular Properties

Compound Name(4S)-5-fluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
PubChem CID168761808
Molecular FormulaC12H14F4N2O2
Molecular Weight294.25 g/mol
Exact Mass294.10
IUPAC Name(4S)-5-fluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
SMILESO[C@H]1c2c(C(F)(F)F)nn(C3CCCCO3)c2CC1F
InChIInChI=1S/C12H14F4N2O2/c13-6-5-7-9(10(6)19)11(12(14,15)16)17-18(7)8-3-1-2-4-20-8/h6,8,10,19H,1-5H2/t6?,8?,10-/m1/s1
InChIKeyZGSLKLFQSRMXSX-PCWHVXPSSA-N
XLogP2.53
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-5-fluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-5-fluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol?
The IUPAC name of (4S)-5-fluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol (CID 168761808) is (4S)-5-fluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol.
What is the SMILES notation for (4S)-5-fluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol?
The canonical SMILES for (4S)-5-fluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol is O[C@H]1c2c(C(F)(F)F)nn(C3CCCCO3)c2CC1F.
What is the InChIKey of (4S)-5-fluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol?
The InChIKey is ZGSLKLFQSRMXSX-PCWHVXPSSA-N. The full InChI is InChI=1S/C12H14F4N2O2/c13-6-5-7-9(10(6)19)11(12(14,15)16)17-18(7)8-3-1-2-4-20-8/h6,8,10,19H,1-5H2/t6?,8?,10-/m1/s1.
What are the key properties of (4S)-5-fluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol?
(4S)-5-fluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol has a molecular weight of 294.25 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-fluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol is sourced from PubChem (CID 168761808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).