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

C24H24N2O3 — CID 3122025

IUPAC3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccccc3)C(c3ccc(OC)c(OC)c3)C2)cc1
InChIInChI=1S/C24H24N2O3/c1-27-20-12-9-17(10-13-20)21-16-22(26(25-21)19-7-5-4-6-8-19)18-11-14-23(28-2)24(15-18)29-3/h4-15,22H,16H2,1-3H3
InChIKeyZGBOIRGBZKYXCC-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.07
Rot. Bonds6

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

3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 3122025) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID3122025
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccccc3)C(c3ccc(OC)c(OC)c3)C2)cc1
InChIInChI=1S/C24H24N2O3/c1-27-20-12-9-17(10-13-20)21-16-22(26(25-21)19-7-5-4-6-8-19)18-11-14-23(28-2)24(15-18)29-3/h4-15,22H,16H2,1-3H3
InChIKeyZGBOIRGBZKYXCC-UHFFFAOYSA-N
XLogP5.07
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole (CID 3122025) is 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole is COc1ccc(C2=NN(c3ccccc3)C(c3ccc(OC)c(OC)c3)C2)cc1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is ZGBOIRGBZKYXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-27-20-12-9-17(10-13-20)21-16-22(26(25-21)19-7-5-4-6-8-19)18-11-14-23(28-2)24(15-18)29-3/h4-15,22H,16H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 388.47 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 3122025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).