[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol

C6H7F3N2O — CID 122163750

IUPAC[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
SMILESCc1c(C(F)(F)F)n[nH]c1CO
InChIInChI=1S/C6H7F3N2O/c1-3-4(2-12)10-11-5(3)6(7,8)9/h12H,2H2,1H3,(H,10,11)
InChIKeyWJQGPRJXZGEUSV-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.23
Rot. Bonds1

About [4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol

[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol (PubChem CID 122163750) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is [4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
PubChem CID122163750
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
SMILESCc1c(C(F)(F)F)n[nH]c1CO
InChIInChI=1S/C6H7F3N2O/c1-3-4(2-12)10-11-5(3)6(7,8)9/h12H,2H2,1H3,(H,10,11)
InChIKeyWJQGPRJXZGEUSV-UHFFFAOYSA-N
XLogP1.23
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-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 [4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol?
The IUPAC name of [4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol (CID 122163750) is [4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for [4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol?
The canonical SMILES for [4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol is Cc1c(C(F)(F)F)n[nH]c1CO.
What is the InChIKey of [4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol?
The InChIKey is WJQGPRJXZGEUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-3-4(2-12)10-11-5(3)6(7,8)9/h12H,2H2,1H3,(H,10,11).
What are the key properties of [4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol?
[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol has a molecular weight of 180.13 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 122163750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).