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

C15H10F2N2O — CID 937339

IUPAC4-fluoro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol
SMILESOc1ccc(F)cc1-c1cc(-c2ccccc2F)[nH]n1
InChIInChI=1S/C15H10F2N2O/c16-9-5-6-15(20)11(7-9)14-8-13(18-19-14)10-3-1-2-4-12(10)17/h1-8,20H,(H,18,19)
InChIKeyLGKKOBPNLMCSTE-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.73
Rot. Bonds2

About 4-fluoro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol

4-fluoro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol (PubChem CID 937339) has the molecular formula C15H10F2N2O and a molecular weight of 272.25 g/mol. Its IUPAC name is 4-fluoro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol
PubChem CID937339
Molecular FormulaC15H10F2N2O
Molecular Weight272.25 g/mol
Exact Mass272.08
IUPAC Name4-fluoro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol
SMILESOc1ccc(F)cc1-c1cc(-c2ccccc2F)[nH]n1
InChIInChI=1S/C15H10F2N2O/c16-9-5-6-15(20)11(7-9)14-8-13(18-19-14)10-3-1-2-4-12(10)17/h1-8,20H,(H,18,19)
InChIKeyLGKKOBPNLMCSTE-UHFFFAOYSA-N
XLogP3.73
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-fluoro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol (CID 937339) is 4-fluoro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-fluoro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-fluoro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol is Oc1ccc(F)cc1-c1cc(-c2ccccc2F)[nH]n1.
What is the InChIKey of 4-fluoro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is LGKKOBPNLMCSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O/c16-9-5-6-15(20)11(7-9)14-8-13(18-19-14)10-3-1-2-4-12(10)17/h1-8,20H,(H,18,19).
What are the key properties of 4-fluoro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol?
4-fluoro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 272.25 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 937339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).