1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol

C6H7F3N2O — CID 63900634

IUPAC1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol
SMILESOC(Cn1cccn1)C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)5(12)4-11-3-1-2-10-11/h1-3,5,12H,4H2
InChIKeyAVVVVWXOVBGHKI-UHFFFAOYSA-N
MW180.13 g/mol
LogP0.81
Rot. Bonds2

About 1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol

1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol (PubChem CID 63900634) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol
PubChem CID63900634
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol
SMILESOC(Cn1cccn1)C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)5(12)4-11-3-1-2-10-11/h1-3,5,12H,4H2
InChIKeyAVVVVWXOVBGHKI-UHFFFAOYSA-N
XLogP0.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-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 1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol (CID 63900634) is 1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol is OC(Cn1cccn1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is AVVVVWXOVBGHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c7-6(8,9)5(12)4-11-3-1-2-10-11/h1-3,5,12H,4H2.
What are the key properties of 1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol?
1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 180.13 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 63900634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).