2-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenol

C16H11F3N2O — CID 4036145

IUPAC2-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
SMILESOc1ccccc1-c1cc(C(F)(F)F)n(-c2ccccc2)n1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)15-10-13(12-8-4-5-9-14(12)22)20-21(15)11-6-2-1-3-7-11/h1-10,22H
InChIKeyZYTNMXQOLCHRNR-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.26
Rot. Bonds2

About 2-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenol

2-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenol (PubChem CID 4036145) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
PubChem CID4036145
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name2-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
SMILESOc1ccccc1-c1cc(C(F)(F)F)n(-c2ccccc2)n1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)15-10-13(12-8-4-5-9-14(12)22)20-21(15)11-6-2-1-3-7-11/h1-10,22H
InChIKeyZYTNMXQOLCHRNR-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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Frequently Asked Questions

What is the IUPAC name of 2-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenol?
The IUPAC name of 2-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenol (CID 4036145) is 2-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenol.
What is the SMILES notation for 2-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenol?
The canonical SMILES for 2-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenol is Oc1ccccc1-c1cc(C(F)(F)F)n(-c2ccccc2)n1.
What is the InChIKey of 2-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenol?
The InChIKey is ZYTNMXQOLCHRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)15-10-13(12-8-4-5-9-14(12)22)20-21(15)11-6-2-1-3-7-11/h1-10,22H.
What are the key properties of 2-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenol?
2-[1-phenyl-5-(trifluoromethyl)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-phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenol is sourced from PubChem (CID 4036145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).