[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol

C5H5F3N2O — CID 59520494

IUPAC[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
SMILESOCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)4-3(2-11)1-9-10-4/h1,11H,2H2,(H,9,10)
InChIKeyPPTPNGBNXZGCBT-UHFFFAOYSA-N
MW166.10 g/mol
LogP0.92
Rot. Bonds1

About [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol

[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol (PubChem CID 59520494) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
PubChem CID59520494
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
SMILESOCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)4-3(2-11)1-9-10-4/h1,11H,2H2,(H,9,10)
InChIKeyPPTPNGBNXZGCBT-UHFFFAOYSA-N
XLogP0.92
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [5-(trifluoromethyl)-1H-pyrazol-4-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-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The IUPAC name of [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol (CID 59520494) is [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol is OCc1cn[nH]c1C(F)(F)F.
What is the InChIKey of [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The InChIKey is PPTPNGBNXZGCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c6-5(7,8)4-3(2-11)1-9-10-4/h1,11H,2H2,(H,9,10).
What are the key properties of [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol has a molecular weight of 166.10 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 59520494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).