2-[5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-fluorophenol

C15H12ClFN2O — CID 2936913

IUPAC2-[5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-fluorophenol
SMILESOc1ccc(F)cc1C1=NNC(c2ccccc2Cl)C1
InChIInChI=1S/C15H12ClFN2O/c16-12-4-2-1-3-10(12)13-8-14(19-18-13)11-7-9(17)5-6-15(11)20/h1-7,13,18,20H,8H2
InChIKeyIAYURWDCOHOUAQ-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.62
Rot. Bonds2

About 2-[5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-fluorophenol

2-[5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-fluorophenol (PubChem CID 2936913) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-fluorophenol.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-fluorophenol
PubChem CID2936913
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name2-[5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-fluorophenol
SMILESOc1ccc(F)cc1C1=NNC(c2ccccc2Cl)C1
InChIInChI=1S/C15H12ClFN2O/c16-12-4-2-1-3-10(12)13-8-14(19-18-13)11-7-9(17)5-6-15(11)20/h1-7,13,18,20H,8H2
InChIKeyIAYURWDCOHOUAQ-UHFFFAOYSA-N
XLogP3.62
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.62
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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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-fluorophenol?
The IUPAC name of 2-[5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-fluorophenol (CID 2936913) is 2-[5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-fluorophenol.
What is the SMILES notation for 2-[5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-fluorophenol?
The canonical SMILES for 2-[5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-fluorophenol is Oc1ccc(F)cc1C1=NNC(c2ccccc2Cl)C1.
What is the InChIKey of 2-[5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-fluorophenol?
The InChIKey is IAYURWDCOHOUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c16-12-4-2-1-3-10(12)13-8-14(19-18-13)11-7-9(17)5-6-15(11)20/h1-7,13,18,20H,8H2.
What are the key properties of 2-[5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-fluorophenol?
2-[5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-fluorophenol has a molecular weight of 290.73 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-fluorophenol is sourced from PubChem (CID 2936913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).