7-(2-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C17H23N3O — CID 136839052

IUPAC7-(2-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCOc1ccccc1C1CCNc2cc(C(C)C)nn21
InChIInChI=1S/C17H23N3O/c1-4-21-16-8-6-5-7-13(16)15-9-10-18-17-11-14(12(2)3)19-20(15)17/h5-8,11-12,15,18H,4,9-10H2,1-3H3
InChIKeyYYXMEZUCDATRON-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.81
Rot. Bonds4

About 7-(2-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(2-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136839052) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 7-(2-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136839052
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name7-(2-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCOc1ccccc1C1CCNc2cc(C(C)C)nn21
InChIInChI=1S/C17H23N3O/c1-4-21-16-8-6-5-7-13(16)15-9-10-18-17-11-14(12(2)3)19-20(15)17/h5-8,11-12,15,18H,4,9-10H2,1-3H3
InChIKeyYYXMEZUCDATRON-UHFFFAOYSA-N
XLogP3.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(2-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[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-(2-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136839052) is 7-(2-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCOc1ccccc1C1CCNc2cc(C(C)C)nn21.
What is the InChIKey of 7-(2-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is YYXMEZUCDATRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-21-16-8-6-5-7-13(16)15-9-10-18-17-11-14(12(2)3)19-20(15)17/h5-8,11-12,15,18H,4,9-10H2,1-3H3.
What are the key properties of 7-(2-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(2-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 285.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136839052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).