3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole

C22H19FN2O — CID 631402

IUPAC3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccccc3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H19FN2O/c1-26-20-13-9-16(10-14-20)21-15-22(17-7-11-18(23)12-8-17)25(24-21)19-5-3-2-4-6-19/h2-14,22H,15H2,1H3
InChIKeyASLZZOXRDKHSFQ-UHFFFAOYSA-N
MW346.41 g/mol
LogP5.19
Rot. Bonds4

About 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole

3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 631402) has the molecular formula C22H19FN2O and a molecular weight of 346.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID631402
Molecular FormulaC22H19FN2O
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC Name3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccccc3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H19FN2O/c1-26-20-13-9-16(10-14-20)21-15-22(17-7-11-18(23)12-8-17)25(24-21)19-5-3-2-4-6-19/h2-14,22H,15H2,1H3
InChIKeyASLZZOXRDKHSFQ-UHFFFAOYSA-N
XLogP5.19
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole (CID 631402) is 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole is COc1ccc(C2=NN(c3ccccc3)C(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is ASLZZOXRDKHSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O/c1-26-20-13-9-16(10-14-20)21-15-22(17-7-11-18(23)12-8-17)25(24-21)19-5-3-2-4-6-19/h2-14,22H,15H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 346.41 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 631402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).