7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

C25H25N3O3 — CID 46232011

IUPAC7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3cc(-c4ccccc4OC)nn23)cc1OC1CCCC1
InChIInChI=1S/C25H25N3O3/c1-29-22-10-6-5-9-19(22)20-16-25-26-14-13-21(28(25)27-20)17-11-12-23(30-2)24(15-17)31-18-7-3-4-8-18/h5-6,9-16,18H,3-4,7-8H2,1-2H3
InChIKeyWIBHJYMNEZFFDG-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.40
Rot. Bonds6

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

7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 46232011) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID46232011
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3cc(-c4ccccc4OC)nn23)cc1OC1CCCC1
InChIInChI=1S/C25H25N3O3/c1-29-22-10-6-5-9-19(22)20-16-25-26-14-13-21(28(25)27-20)17-11-12-23(30-2)24(15-17)31-18-7-3-4-8-18/h5-6,9-16,18H,3-4,7-8H2,1-2H3
InChIKeyWIBHJYMNEZFFDG-UHFFFAOYSA-N
XLogP5.40
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyphenyl)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 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 46232011) is 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2ccnc3cc(-c4ccccc4OC)nn23)cc1OC1CCCC1.
What is the InChIKey of 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is WIBHJYMNEZFFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-29-22-10-6-5-9-19(22)20-16-25-26-14-13-21(28(25)27-20)17-11-12-23(30-2)24(15-17)31-18-7-3-4-8-18/h5-6,9-16,18H,3-4,7-8H2,1-2H3.
What are the key properties of 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 415.49 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46232011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).