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

C15H10BrFN2O — CID 662460

IUPAC4-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol
SMILESOc1ccc(Br)cc1-c1cc(-c2ccccc2F)[nH]n1
InChIInChI=1S/C15H10BrFN2O/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)
InChIKeyHGLIQONJYMUJHT-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.35
Rot. Bonds2

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

4-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol (PubChem CID 662460) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 4-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol
PubChem CID662460
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name4-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol
SMILESOc1ccc(Br)cc1-c1cc(-c2ccccc2F)[nH]n1
InChIInChI=1S/C15H10BrFN2O/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)
InChIKeyHGLIQONJYMUJHT-UHFFFAOYSA-N
XLogP4.35
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol (CID 662460) is 4-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol is Oc1ccc(Br)cc1-c1cc(-c2ccccc2F)[nH]n1.
What is the InChIKey of 4-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is HGLIQONJYMUJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/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-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol?
4-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 333.16 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 662460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).