3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine

C21H19N3O — CID 977660

IUPAC3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1c(C)nn2c(-c3ccccc3)cc(C)nc12
InChIInChI=1S/C21H19N3O/c1-14-13-18(16-9-5-4-6-10-16)24-21(22-14)20(15(2)23-24)17-11-7-8-12-19(17)25-3/h4-13H,1-3H3
InChIKeyGPYIQCMONZPSNS-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.69
Rot. Bonds3

About 3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine

3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 977660) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID977660
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1c(C)nn2c(-c3ccccc3)cc(C)nc12
InChIInChI=1S/C21H19N3O/c1-14-13-18(16-9-5-4-6-10-16)24-21(22-14)20(15(2)23-24)17-11-7-8-12-19(17)25-3/h4-13H,1-3H3
InChIKeyGPYIQCMONZPSNS-UHFFFAOYSA-N
XLogP4.69
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[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 3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine (CID 977660) is 3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine is COc1ccccc1-c1c(C)nn2c(-c3ccccc3)cc(C)nc12.
What is the InChIKey of 3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is GPYIQCMONZPSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-14-13-18(16-9-5-4-6-10-16)24-21(22-14)20(15(2)23-24)17-11-7-8-12-19(17)25-3/h4-13H,1-3H3.
What are the key properties of 3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine?
3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 329.40 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 977660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).