[5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol

C9H13F3N2O — CID 90300070

IUPAC[5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
SMILESCC(C)c1cc(CO)nn1CC(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-6(2)8-3-7(4-15)13-14(8)5-9(10,11)12/h3,6,15H,4-5H2,1-2H3
InChIKeySAQAOVHLQFBTNB-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.06
Rot. Bonds3

About [5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol

[5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol (PubChem CID 90300070) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is [5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
PubChem CID90300070
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name[5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
SMILESCC(C)c1cc(CO)nn1CC(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-6(2)8-3-7(4-15)13-14(8)5-9(10,11)12/h3,6,15H,4-5H2,1-2H3
InChIKeySAQAOVHLQFBTNB-UHFFFAOYSA-N
XLogP2.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol 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 [5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol?
The IUPAC name of [5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol (CID 90300070) is [5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol?
The canonical SMILES for [5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol is CC(C)c1cc(CO)nn1CC(F)(F)F.
What is the InChIKey of [5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol?
The InChIKey is SAQAOVHLQFBTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-6(2)8-3-7(4-15)13-14(8)5-9(10,11)12/h3,6,15H,4-5H2,1-2H3.
What are the key properties of [5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol?
[5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol has a molecular weight of 222.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 90300070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).