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

C23H23N3O3 — CID 162651168

IUPAC2-(3,4-dimethylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2ccnc3cc(-c4ccc(C)c(C)c4)nn23)cc(OC)c1OC
InChIInChI=1S/C23H23N3O3/c1-14-6-7-16(10-15(14)2)18-13-22-24-9-8-19(26(22)25-18)17-11-20(27-3)23(29-5)21(12-17)28-4/h6-13H,1-5H3
InChIKeyIJJRRLUNGNEPMU-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.71
Rot. Bonds5

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

2-(3,4-dimethylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 162651168) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID162651168
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-(3,4-dimethylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2ccnc3cc(-c4ccc(C)c(C)c4)nn23)cc(OC)c1OC
InChIInChI=1S/C23H23N3O3/c1-14-6-7-16(10-15(14)2)18-13-22-24-9-8-19(26(22)25-18)17-11-20(27-3)23(29-5)21(12-17)28-4/h6-13H,1-5H3
InChIKeyIJJRRLUNGNEPMU-UHFFFAOYSA-N
XLogP4.71
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(3,4-dimethylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 162651168) is 2-(3,4-dimethylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1cc(-c2ccnc3cc(-c4ccc(C)c(C)c4)nn23)cc(OC)c1OC.
What is the InChIKey of 2-(3,4-dimethylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is IJJRRLUNGNEPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14-6-7-16(10-15(14)2)18-13-22-24-9-8-19(26(22)25-18)17-11-20(27-3)23(29-5)21(12-17)28-4/h6-13H,1-5H3.
What are the key properties of 2-(3,4-dimethylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
2-(3,4-dimethylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 389.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162651168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).