4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol

C21H17FN2O — CID 3490723

IUPAC4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol
SMILESOc1ccc(C2=NN(c3ccccc3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C21H17FN2O/c22-17-10-6-16(7-11-17)21-14-20(15-8-12-19(25)13-9-15)23-24(21)18-4-2-1-3-5-18/h1-13,21,25H,14H2
InChIKeyBCAJURJBQVGENH-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.89
Rot. Bonds3

About 4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol

4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol (PubChem CID 3490723) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol
PubChem CID3490723
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol
SMILESOc1ccc(C2=NN(c3ccccc3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C21H17FN2O/c22-17-10-6-16(7-11-17)21-14-20(15-8-12-19(25)13-9-15)23-24(21)18-4-2-1-3-5-18/h1-13,21,25H,14H2
InChIKeyBCAJURJBQVGENH-UHFFFAOYSA-N
XLogP4.89
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol?
The IUPAC name of 4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol (CID 3490723) is 4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol?
The canonical SMILES for 4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol is Oc1ccc(C2=NN(c3ccccc3)C(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol?
The InChIKey is BCAJURJBQVGENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O/c22-17-10-6-16(7-11-17)21-14-20(15-8-12-19(25)13-9-15)23-24(21)18-4-2-1-3-5-18/h1-13,21,25H,14H2.
What are the key properties of 4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol?
4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol has a molecular weight of 332.38 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol is sourced from PubChem (CID 3490723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).