2,4-difluoro-6-[3-(1H-pyrazol-5-yl)phenyl]phenol

C15H10F2N2O — CID 28729717

IUPAC2,4-difluoro-6-[3-(1H-pyrazol-5-yl)phenyl]phenol
SMILESOc1c(F)cc(F)cc1-c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C15H10F2N2O/c16-11-7-12(15(20)13(17)8-11)9-2-1-3-10(6-9)14-4-5-18-19-14/h1-8,20H,(H,18,19)
InChIKeyQQAGQJRGALJSNH-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.73
Rot. Bonds2

About 2,4-difluoro-6-[3-(1H-pyrazol-5-yl)phenyl]phenol

2,4-difluoro-6-[3-(1H-pyrazol-5-yl)phenyl]phenol (PubChem CID 28729717) has the molecular formula C15H10F2N2O and a molecular weight of 272.25 g/mol. Its IUPAC name is 2,4-difluoro-6-[3-(1H-pyrazol-5-yl)phenyl]phenol.

Molecular Properties

Compound Name2,4-difluoro-6-[3-(1H-pyrazol-5-yl)phenyl]phenol
PubChem CID28729717
Molecular FormulaC15H10F2N2O
Molecular Weight272.25 g/mol
Exact Mass272.08
IUPAC Name2,4-difluoro-6-[3-(1H-pyrazol-5-yl)phenyl]phenol
SMILESOc1c(F)cc(F)cc1-c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C15H10F2N2O/c16-11-7-12(15(20)13(17)8-11)9-2-1-3-10(6-9)14-4-5-18-19-14/h1-8,20H,(H,18,19)
InChIKeyQQAGQJRGALJSNH-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 2,4-difluoro-6-[3-(1H-pyrazol-5-yl)phenyl]phenol?
The IUPAC name of 2,4-difluoro-6-[3-(1H-pyrazol-5-yl)phenyl]phenol (CID 28729717) is 2,4-difluoro-6-[3-(1H-pyrazol-5-yl)phenyl]phenol.
What is the SMILES notation for 2,4-difluoro-6-[3-(1H-pyrazol-5-yl)phenyl]phenol?
The canonical SMILES for 2,4-difluoro-6-[3-(1H-pyrazol-5-yl)phenyl]phenol is Oc1c(F)cc(F)cc1-c1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 2,4-difluoro-6-[3-(1H-pyrazol-5-yl)phenyl]phenol?
The InChIKey is QQAGQJRGALJSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O/c16-11-7-12(15(20)13(17)8-11)9-2-1-3-10(6-9)14-4-5-18-19-14/h1-8,20H,(H,18,19).
What are the key properties of 2,4-difluoro-6-[3-(1H-pyrazol-5-yl)phenyl]phenol?
2,4-difluoro-6-[3-(1H-pyrazol-5-yl)phenyl]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 2,4-difluoro-6-[3-(1H-pyrazol-5-yl)phenyl]phenol is sourced from PubChem (CID 28729717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).