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

C23H21FN2O2 — CID 2883145

IUPAC3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1OC
InChIInChI=1S/C23H21FN2O2/c1-27-22-13-10-17(14-23(22)28-2)21-15-20(16-8-11-18(24)12-9-16)25-26(21)19-6-4-3-5-7-19/h3-14,21H,15H2,1-2H3
InChIKeyGEMARUXNGYWZLQ-UHFFFAOYSA-N
MW376.43 g/mol
LogP5.20
Rot. Bonds5

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

3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 2883145) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID2883145
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1OC
InChIInChI=1S/C23H21FN2O2/c1-27-22-13-10-17(14-23(22)28-2)21-15-20(16-8-11-18(24)12-9-16)25-26(21)19-6-4-3-5-7-19/h3-14,21H,15H2,1-2H3
InChIKeyGEMARUXNGYWZLQ-UHFFFAOYSA-N
XLogP5.20
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.43
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole (CID 2883145) is 3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole is COc1ccc(C2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is GEMARUXNGYWZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-27-22-13-10-17(14-23(22)28-2)21-15-20(16-8-11-18(24)12-9-16)25-26(21)19-6-4-3-5-7-19/h3-14,21H,15H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole?
3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 376.43 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 2883145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).