3-[3-(4-fluorophenyl)pyrazol-1-yl]phenol

C15H11FN2O — CID 57156836

IUPAC3-[3-(4-fluorophenyl)pyrazol-1-yl]phenol
SMILESOc1cccc(-n2ccc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C15H11FN2O/c16-12-6-4-11(5-7-12)15-8-9-18(17-15)13-2-1-3-14(19)10-13/h1-10,19H
InChIKeyHJEOTSRBCNUQPR-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.38
Rot. Bonds2

About 3-[3-(4-fluorophenyl)pyrazol-1-yl]phenol

3-[3-(4-fluorophenyl)pyrazol-1-yl]phenol (PubChem CID 57156836) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)pyrazol-1-yl]phenol
PubChem CID57156836
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name3-[3-(4-fluorophenyl)pyrazol-1-yl]phenol
SMILESOc1cccc(-n2ccc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C15H11FN2O/c16-12-6-4-11(5-7-12)15-8-9-18(17-15)13-2-1-3-14(19)10-13/h1-10,19H
InChIKeyHJEOTSRBCNUQPR-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)pyrazol-1-yl]phenol?
The IUPAC name of 3-[3-(4-fluorophenyl)pyrazol-1-yl]phenol (CID 57156836) is 3-[3-(4-fluorophenyl)pyrazol-1-yl]phenol.
What is the SMILES notation for 3-[3-(4-fluorophenyl)pyrazol-1-yl]phenol?
The canonical SMILES for 3-[3-(4-fluorophenyl)pyrazol-1-yl]phenol is Oc1cccc(-n2ccc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of 3-[3-(4-fluorophenyl)pyrazol-1-yl]phenol?
The InChIKey is HJEOTSRBCNUQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-12-6-4-11(5-7-12)15-8-9-18(17-15)13-2-1-3-14(19)10-13/h1-10,19H.
What are the key properties of 3-[3-(4-fluorophenyl)pyrazol-1-yl]phenol?
3-[3-(4-fluorophenyl)pyrazol-1-yl]phenol has a molecular weight of 254.26 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)pyrazol-1-yl]phenol is sourced from PubChem (CID 57156836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).