5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one

C15H24N4O — CID 82271318

IUPAC5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1c(CCCN)cc(=O)n2nc(C(C)(C)C)cc12
InChIInChI=1S/C15H24N4O/c1-5-18-11(7-6-8-16)9-14(20)19-13(18)10-12(17-19)15(2,3)4/h9-10H,5-8,16H2,1-4H3
InChIKeyYEEZSNBUZVICMJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.70
Rot. Bonds4

About 5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one

5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271318) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271318
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1c(CCCN)cc(=O)n2nc(C(C)(C)C)cc12
InChIInChI=1S/C15H24N4O/c1-5-18-11(7-6-8-16)9-14(20)19-13(18)10-12(17-19)15(2,3)4/h9-10H,5-8,16H2,1-4H3
InChIKeyYEEZSNBUZVICMJ-UHFFFAOYSA-N
XLogP1.70
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one 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 5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one (CID 82271318) is 5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one is CCn1c(CCCN)cc(=O)n2nc(C(C)(C)C)cc12.
What is the InChIKey of 5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YEEZSNBUZVICMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-5-18-11(7-6-8-16)9-14(20)19-13(18)10-12(17-19)15(2,3)4/h9-10H,5-8,16H2,1-4H3.
What are the key properties of 5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one?
5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 276.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).