2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenol

C15H11FN2O — CID 644655

IUPAC2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1-c1cc(-c2cccc(F)c2)n[nH]1
InChIInChI=1S/C15H11FN2O/c16-11-5-3-4-10(8-11)13-9-14(18-17-13)12-6-1-2-7-15(12)19/h1-9,19H,(H,17,18)
InChIKeyXCFBEFAETIBBCV-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.59
Rot. Bonds2

About 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenol

2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenol (PubChem CID 644655) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenol
PubChem CID644655
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1-c1cc(-c2cccc(F)c2)n[nH]1
InChIInChI=1S/C15H11FN2O/c16-11-5-3-4-10(8-11)13-9-14(18-17-13)12-6-1-2-7-15(12)19/h1-9,19H,(H,17,18)
InChIKeyXCFBEFAETIBBCV-UHFFFAOYSA-N
XLogP3.59
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenol (CID 644655) is 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenol is Oc1ccccc1-c1cc(-c2cccc(F)c2)n[nH]1.
What is the InChIKey of 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenol?
The InChIKey is XCFBEFAETIBBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-11-5-3-4-10(8-11)13-9-14(18-17-13)12-6-1-2-7-15(12)19/h1-9,19H,(H,17,18).
What are the key properties of 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenol?
2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenol has a molecular weight of 254.26 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 644655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).