[4-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol

C14H15F3N2O — CID 67528564

IUPAC[4-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol
SMILESCC(C)c1cnn(-c2ccccc2C(F)(F)F)c1CO
InChIInChI=1S/C14H15F3N2O/c1-9(2)10-7-18-19(13(10)8-20)12-6-4-3-5-11(12)14(15,16)17/h3-7,9,20H,8H2,1-2H3
InChIKeySRJUIXGSPLPNDH-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.51
Rot. Bonds3

About [4-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol

[4-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol (PubChem CID 67528564) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is [4-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[4-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol
PubChem CID67528564
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name[4-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol
SMILESCC(C)c1cnn(-c2ccccc2C(F)(F)F)c1CO
InChIInChI=1S/C14H15F3N2O/c1-9(2)10-7-18-19(13(10)8-20)12-6-4-3-5-11(12)14(15,16)17/h3-7,9,20H,8H2,1-2H3
InChIKeySRJUIXGSPLPNDH-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-propan-2-yl-1-[2-(trifluoromethyl)phenyl]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-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
The IUPAC name of [4-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol (CID 67528564) is [4-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol.
What is the SMILES notation for [4-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
The canonical SMILES for [4-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol is CC(C)c1cnn(-c2ccccc2C(F)(F)F)c1CO.
What is the InChIKey of [4-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
The InChIKey is SRJUIXGSPLPNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-9(2)10-7-18-19(13(10)8-20)12-6-4-3-5-11(12)14(15,16)17/h3-7,9,20H,8H2,1-2H3.
What are the key properties of [4-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
[4-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol has a molecular weight of 284.28 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol is sourced from PubChem (CID 67528564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).