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

C15H12F2N2O — CID 3152684

IUPAC4-fluoro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESOc1ccc(F)cc1C1=NNC(c2ccccc2F)C1
InChIInChI=1S/C15H12F2N2O/c16-9-5-6-15(20)11(7-9)14-8-13(18-19-14)10-3-1-2-4-12(10)17/h1-7,13,18,20H,8H2
InChIKeyAQXZXOIZFNWCJU-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.11
Rot. Bonds2

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

4-fluoro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (PubChem CID 3152684) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is 4-fluoro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
PubChem CID3152684
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name4-fluoro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESOc1ccc(F)cc1C1=NNC(c2ccccc2F)C1
InChIInChI=1S/C15H12F2N2O/c16-9-5-6-15(20)11(7-9)14-8-13(18-19-14)10-3-1-2-4-12(10)17/h1-7,13,18,20H,8H2
InChIKeyAQXZXOIZFNWCJU-UHFFFAOYSA-N
XLogP3.11
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Related Compounds

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2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol
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CID 3430440
2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 4738346
2-[5-(2-Fluorophenyl)-2-pyrazolin-3-yl]phenol
CID 5175667
2,6-ditert-butyl-4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 135546206
4-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzene-1,3-diol
CID 136226201
4-[5-(3-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzene-1,3-diol
CID 136226202
2-[5-(3-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 166633111

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-fluoro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (CID 3152684) is 4-fluoro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-fluoro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-fluoro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is Oc1ccc(F)cc1C1=NNC(c2ccccc2F)C1.
What is the InChIKey of 4-fluoro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The InChIKey is AQXZXOIZFNWCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c16-9-5-6-15(20)11(7-9)14-8-13(18-19-14)10-3-1-2-4-12(10)17/h1-7,13,18,20H,8H2.
What are the key properties of 4-fluoro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
4-fluoro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol has a molecular weight of 274.27 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 3152684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).