3-(3,5-dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole

C27H28N2O4 — CID 67335414

IUPAC3-(3,5-dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
SMILESCOc1cc(C=CC2=NN(c3ccccc3)C(c3cc(OC)cc(OC)c3)C2)cc(OC)c1
InChIInChI=1S/C27H28N2O4/c1-30-23-12-19(13-24(17-23)31-2)10-11-21-16-27(29(28-21)22-8-6-5-7-9-22)20-14-25(32-3)18-26(15-20)33-4/h5-15,17-18,27H,16H2,1-4H3
InChIKeyBROPMLPUSAROTQ-UHFFFAOYSA-N
MW444.53 g/mol
LogP5.74
Rot. Bonds8

About 3-(3,5-dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole

3-(3,5-dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole (PubChem CID 67335414) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
PubChem CID67335414
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC Name3-(3,5-dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
SMILESCOc1cc(C=CC2=NN(c3ccccc3)C(c3cc(OC)cc(OC)c3)C2)cc(OC)c1
InChIInChI=1S/C27H28N2O4/c1-30-23-12-19(13-24(17-23)31-2)10-11-21-16-27(29(28-21)22-8-6-5-7-9-22)20-14-25(32-3)18-26(15-20)33-4/h5-15,17-18,27H,16H2,1-4H3
InChIKeyBROPMLPUSAROTQ-UHFFFAOYSA-N
XLogP5.74
TPSA52.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole (CID 67335414) is 3-(3,5-dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole is COc1cc(C=CC2=NN(c3ccccc3)C(c3cc(OC)cc(OC)c3)C2)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole?
The InChIKey is BROPMLPUSAROTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c1-30-23-12-19(13-24(17-23)31-2)10-11-21-16-27(29(28-21)22-8-6-5-7-9-22)20-14-25(32-3)18-26(15-20)33-4/h5-15,17-18,27H,16H2,1-4H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole?
3-(3,5-dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole has a molecular weight of 444.53 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 67335414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).