2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenol

C11H9F3N2O — CID 172879520

IUPAC2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenol
SMILESCn1cc(-c2cc(C(F)(F)F)ccc2O)cn1
InChIInChI=1S/C11H9F3N2O/c1-16-6-7(5-15-16)9-4-8(11(12,13)14)2-3-10(9)17/h2-6,17H,1H3
InChIKeyJKJOXDNCGMWUQR-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.81
Rot. Bonds1

About 2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenol

2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenol (PubChem CID 172879520) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenol
PubChem CID172879520
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenol
SMILESCn1cc(-c2cc(C(F)(F)F)ccc2O)cn1
InChIInChI=1S/C11H9F3N2O/c1-16-6-7(5-15-16)9-4-8(11(12,13)14)2-3-10(9)17/h2-6,17H,1H3
InChIKeyJKJOXDNCGMWUQR-UHFFFAOYSA-N
XLogP2.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)aniline
CID 167459732
2-methyl-N-[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenyl]propanamide
CID 175834547
2-[4-(1-methylpyrazol-4-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 162661835
2-(1-cyclobutylpyrazol-4-yl)-5-(trifluoromethyl)phenol
CID 172907045
ethane;1-methyl-4-(trifluoromethyl)pyrazole
CID 145172818
4-(2-fluoro-5-methylphenyl)-1-methylpyrazole
CID 59578603
2-(4-tert-butyl-1-methylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)phenol
CID 136603780
2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol
CID 117359096
4-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole
CID 71074470
4-(2-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole
CID 121383038
4-(2-fluoro-4-methylphenyl)-1-methylpyrazole
CID 121373425
2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
CID 70847943

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenol?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenol (CID 172879520) is 2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenol is Cn1cc(-c2cc(C(F)(F)F)ccc2O)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenol?
The InChIKey is JKJOXDNCGMWUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-16-6-7(5-15-16)9-4-8(11(12,13)14)2-3-10(9)17/h2-6,17H,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenol?
2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenol has a molecular weight of 242.20 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenol is sourced from PubChem (CID 172879520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).