2-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol

C16H11F3N2O — CID 135465493

IUPAC2-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol
SMILESOc1ccccc1-c1ccn(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)12-6-2-3-7-14(12)21-10-9-13(20-21)11-5-1-4-8-15(11)22/h1-10,22H
InChIKeyZDWBTPMGKAHGGF-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.26
Rot. Bonds2

About 2-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol

2-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol (PubChem CID 135465493) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol
PubChem CID135465493
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name2-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol
SMILESOc1ccccc1-c1ccn(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)12-6-2-3-7-14(12)21-10-9-13(20-21)11-5-1-4-8-15(11)22/h1-10,22H
InChIKeyZDWBTPMGKAHGGF-UHFFFAOYSA-N
XLogP4.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-Dimethyl-1-phenylpyrazol-4-yl)phenol
CID 832558
4-Bromo-2-(1-phenyl-1H-pyrazol-5-yl)phenol
CID 838849
4-[(5S)-1-(4-fluorophenyl)spiro[4H-indazole-5,6'-cyclohexene]-1'-yl]phenol
CID 155548288
2-(1-benzyl-3-phenyl-1H-pyrazol-5-yl)phenol
CID 2380220
2-Phenyl-2H-indazol-5-ol
CID 11390181
4-[2-(2-Fluorophenyl)pyrazol-3-yl]-6-iodobenzene-1,3-diol
CID 136367089
4-Methyl-6-(2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
CID 353508
2-[1-Methyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol
CID 972477
6-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-4-(2-hydroxyphenyl)-1H-pyrimidine-2-thione
CID 136196476
4-[4-(4-Hydroxyphenyl)triazol-1-yl]-2-(trifluoromethyl)phenol
CID 145977151
4-Prop-2-enyl-2-(1-prop-2-enylpyrazol-3-yl)phenol
CID 155533142
4-Indazol-2-ylphenol
CID 11424354

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol?
The IUPAC name of 2-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol (CID 135465493) is 2-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol.
What is the SMILES notation for 2-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol?
The canonical SMILES for 2-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol is Oc1ccccc1-c1ccn(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol?
The InChIKey is ZDWBTPMGKAHGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)12-6-2-3-7-14(12)21-10-9-13(20-21)11-5-1-4-8-15(11)22/h1-10,22H.
What are the key properties of 2-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol?
2-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol has a molecular weight of 304.27 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol is sourced from PubChem (CID 135465493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).