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

C9H11F3N2O — CID 175567876

IUPAC[2-(1,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methanol
SMILESOCC1Cc2cn(C(F)C(F)F)nc2C1
InChIInChI=1S/C9H11F3N2O/c10-8(11)9(12)14-3-6-1-5(4-15)2-7(6)13-14/h3,5,8-9,15H,1-2,4H2
InChIKeyDWIZJYJIIWXZOJ-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.32
Rot. Bonds3

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

[2-(1,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methanol (PubChem CID 175567876) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is [2-(1,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methanol
PubChem CID175567876
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name[2-(1,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methanol
SMILESOCC1Cc2cn(C(F)C(F)F)nc2C1
InChIInChI=1S/C9H11F3N2O/c10-8(11)9(12)14-3-6-1-5(4-15)2-7(6)13-14/h3,5,8-9,15H,1-2,4H2
InChIKeyDWIZJYJIIWXZOJ-UHFFFAOYSA-N
XLogP1.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methanol?
The IUPAC name of [2-(1,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methanol (CID 175567876) is [2-(1,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methanol.
What is the SMILES notation for [2-(1,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methanol?
The canonical SMILES for [2-(1,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methanol is OCC1Cc2cn(C(F)C(F)F)nc2C1.
What is the InChIKey of [2-(1,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methanol?
The InChIKey is DWIZJYJIIWXZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-8(11)9(12)14-3-6-1-5(4-15)2-7(6)13-14/h3,5,8-9,15H,1-2,4H2.
What are the key properties of [2-(1,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methanol?
[2-(1,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methanol has a molecular weight of 220.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methanol is sourced from PubChem (CID 175567876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).