3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

C23H23N3O3 — CID 42647785

IUPAC3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOCc1nn2c(-c3ccc(C)cc3)ccnc2c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H23N3O3/c1-15-5-7-16(8-6-15)19-11-12-24-23-22(18(14-27-2)25-26(19)23)17-9-10-20(28-3)21(13-17)29-4/h5-13H,14H2,1-4H3
InChIKeyWAIBZTVKFAWSST-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.54
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 42647785) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID42647785
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOCc1nn2c(-c3ccc(C)cc3)ccnc2c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H23N3O3/c1-15-5-7-16(8-6-15)19-11-12-24-23-22(18(14-27-2)25-26(19)23)17-9-10-20(28-3)21(13-17)29-4/h5-13H,14H2,1-4H3
InChIKeyWAIBZTVKFAWSST-UHFFFAOYSA-N
XLogP4.54
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (CID 42647785) is 3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is COCc1nn2c(-c3ccc(C)cc3)ccnc2c1-c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is WAIBZTVKFAWSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15-5-7-16(8-6-15)19-11-12-24-23-22(18(14-27-2)25-26(19)23)17-9-10-20(28-3)21(13-17)29-4/h5-13H,14H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 389.46 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 42647785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).