4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

C11H9F3N2O — CID 690720

IUPAC4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESCc1ccc(O)c(-c2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C11H9F3N2O/c1-6-2-3-9(17)7(4-6)8-5-10(16-15-8)11(12,13)14/h2-5,17H,1H3,(H,15,16)
InChIKeyRLOJAFTZOANIHB-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.11
Rot. Bonds1

About 4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (PubChem CID 690720) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
PubChem CID690720
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESCc1ccc(O)c(-c2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C11H9F3N2O/c1-6-2-3-9(17)7(4-6)8-5-10(16-15-8)11(12,13)14/h2-5,17H,1H3,(H,15,16)
InChIKeyRLOJAFTZOANIHB-UHFFFAOYSA-N
XLogP3.11
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol 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-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (CID 690720) is 4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is Cc1ccc(O)c(-c2cc(C(F)(F)F)[nH]n2)c1.
What is the InChIKey of 4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is RLOJAFTZOANIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-6-2-3-9(17)7(4-6)8-5-10(16-15-8)11(12,13)14/h2-5,17H,1H3,(H,15,16).
What are the key properties of 4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 242.20 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 690720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).