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

C21H17FN2O — CID 3716559

IUPAC2-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol
SMILESOc1ccccc1C1=NN(c2ccccc2)C(c2ccc(F)cc2)C1
InChIInChI=1S/C21H17FN2O/c22-16-12-10-15(11-13-16)20-14-19(18-8-4-5-9-21(18)25)23-24(20)17-6-2-1-3-7-17/h1-13,20,25H,14H2
InChIKeyAZFVNSILTBVJIL-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.89
Rot. Bonds3

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

2-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol (PubChem CID 3716559) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol
PubChem CID3716559
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name2-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol
SMILESOc1ccccc1C1=NN(c2ccccc2)C(c2ccc(F)cc2)C1
InChIInChI=1S/C21H17FN2O/c22-16-12-10-15(11-13-16)20-14-19(18-8-4-5-9-21(18)25)23-24(20)17-6-2-1-3-7-17/h1-13,20,25H,14H2
InChIKeyAZFVNSILTBVJIL-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_A(479)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol?
The IUPAC name of 2-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol (CID 3716559) is 2-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol?
The canonical SMILES for 2-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol is Oc1ccccc1C1=NN(c2ccccc2)C(c2ccc(F)cc2)C1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol?
The InChIKey is AZFVNSILTBVJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O/c22-16-12-10-15(11-13-16)20-14-19(18-8-4-5-9-21(18)25)23-24(20)17-6-2-1-3-7-17/h1-13,20,25H,14H2.
What are the key properties of 2-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol?
2-[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 2-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol is sourced from PubChem (CID 3716559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).