2-(4-ethenylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

C23H21N3O3 — CID 162658749

IUPAC2-(4-ethenylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESC=Cc1ccc(-c2cc3nccc(-c4cc(OC)c(OC)c(OC)c4)n3n2)cc1
InChIInChI=1S/C23H21N3O3/c1-5-15-6-8-16(9-7-15)18-14-22-24-11-10-19(26(22)25-18)17-12-20(27-2)23(29-4)21(13-17)28-3/h5-14H,1H2,2-4H3
InChIKeyZJOLUBXUTOSHET-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.73
Rot. Bonds6

About 2-(4-ethenylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

2-(4-ethenylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 162658749) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(4-ethenylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(4-ethenylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID162658749
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-(4-ethenylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESC=Cc1ccc(-c2cc3nccc(-c4cc(OC)c(OC)c(OC)c4)n3n2)cc1
InChIInChI=1S/C23H21N3O3/c1-5-15-6-8-16(9-7-15)18-14-22-24-11-10-19(26(22)25-18)17-12-20(27-2)23(29-4)21(13-17)28-3/h5-14H,1H2,2-4H3
InChIKeyZJOLUBXUTOSHET-UHFFFAOYSA-N
XLogP4.73
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-ethenylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine 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 2-(4-ethenylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(4-ethenylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 162658749) is 2-(4-ethenylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(4-ethenylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(4-ethenylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is C=Cc1ccc(-c2cc3nccc(-c4cc(OC)c(OC)c(OC)c4)n3n2)cc1.
What is the InChIKey of 2-(4-ethenylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is ZJOLUBXUTOSHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-5-15-6-8-16(9-7-15)18-14-22-24-11-10-19(26(22)25-18)17-12-20(27-2)23(29-4)21(13-17)28-3/h5-14H,1H2,2-4H3.
What are the key properties of 2-(4-ethenylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
2-(4-ethenylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 387.44 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162658749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).