7-tert-butyl-2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C15H25N3 — CID 136841107

IUPAC7-tert-butyl-2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)C1CCNc2cc(C3CCCC3)nn21
InChIInChI=1S/C15H25N3/c1-15(2,3)13-8-9-16-14-10-12(17-18(13)14)11-6-4-5-7-11/h10-11,13,16H,4-9H2,1-3H3
InChIKeyHCXDGOKGKLGUNO-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.94
Rot. Bonds1

About 7-tert-butyl-2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-tert-butyl-2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841107) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 7-tert-butyl-2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-tert-butyl-2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841107
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name7-tert-butyl-2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)C1CCNc2cc(C3CCCC3)nn21
InChIInChI=1S/C15H25N3/c1-15(2,3)13-8-9-16-14-10-12(17-18(13)14)11-6-4-5-7-11/h10-11,13,16H,4-9H2,1-3H3
InChIKeyHCXDGOKGKLGUNO-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-tert-butyl-2-cyclopentyl-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-tert-butyl-2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-tert-butyl-2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841107) is 7-tert-butyl-2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-tert-butyl-2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-tert-butyl-2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC(C)(C)C1CCNc2cc(C3CCCC3)nn21.
What is the InChIKey of 7-tert-butyl-2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is HCXDGOKGKLGUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2,3)13-8-9-16-14-10-12(17-18(13)14)11-6-4-5-7-11/h10-11,13,16H,4-9H2,1-3H3.
What are the key properties of 7-tert-butyl-2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-tert-butyl-2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 247.39 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).