[1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl]methanol

C9H11F3N2O — CID 167468078

IUPAC[1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl]methanol
SMILESOCC1Cc2cnn(CC(F)(F)F)c2C1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)5-14-8-2-6(4-15)1-7(8)3-13-14/h3,6,15H,1-2,4-5H2
InChIKeyQZNZMBIEMTWXON-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.15
Rot. Bonds2

About [1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl]methanol

[1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl]methanol (PubChem CID 167468078) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl]methanol
PubChem CID167468078
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name[1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl]methanol
SMILESOCC1Cc2cnn(CC(F)(F)F)c2C1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)5-14-8-2-6(4-15)1-7(8)3-13-14/h3,6,15H,1-2,4-5H2
InChIKeyQZNZMBIEMTWXON-UHFFFAOYSA-N
XLogP1.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl]methanol?
The IUPAC name of [1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl]methanol (CID 167468078) is [1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl]methanol.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl]methanol?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl]methanol is OCC1Cc2cnn(CC(F)(F)F)c2C1.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl]methanol?
The InChIKey is QZNZMBIEMTWXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)5-14-8-2-6(4-15)1-7(8)3-13-14/h3,6,15H,1-2,4-5H2.
What are the key properties of [1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl]methanol?
[1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl]methanol has a molecular weight of 220.19 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl]methanol is sourced from PubChem (CID 167468078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).