3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-amine

C9H11BrN4O — CID 90448191

IUPAC3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-amine
SMILESNCCCOc1ccn2ncc(Br)c2n1
InChIInChI=1S/C9H11BrN4O/c10-7-6-12-14-4-2-8(13-9(7)14)15-5-1-3-11/h2,4,6H,1,3,5,11H2
InChIKeyOXVDYWBOUDHZFA-UHFFFAOYSA-N
MW271.12 g/mol
LogP1.22
Rot. Bonds4

About 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-amine

3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-amine (PubChem CID 90448191) has the molecular formula C9H11BrN4O and a molecular weight of 271.12 g/mol. Its IUPAC name is 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-amine.

Molecular Properties

Compound Name3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-amine
PubChem CID90448191
Molecular FormulaC9H11BrN4O
Molecular Weight271.12 g/mol
Exact Mass270.01
IUPAC Name3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-amine
SMILESNCCCOc1ccn2ncc(Br)c2n1
InChIInChI=1S/C9H11BrN4O/c10-7-6-12-14-4-2-8(13-9(7)14)15-5-1-3-11/h2,4,6H,1,3,5,11H2
InChIKeyOXVDYWBOUDHZFA-UHFFFAOYSA-N
XLogP1.22
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-amine 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-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-amine?
The IUPAC name of 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-amine (CID 90448191) is 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-amine.
What is the SMILES notation for 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-amine?
The canonical SMILES for 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-amine is NCCCOc1ccn2ncc(Br)c2n1.
What is the InChIKey of 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-amine?
The InChIKey is OXVDYWBOUDHZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O/c10-7-6-12-14-4-2-8(13-9(7)14)15-5-1-3-11/h2,4,6H,1,3,5,11H2.
What are the key properties of 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-amine?
3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-amine has a molecular weight of 271.12 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-amine is sourced from PubChem (CID 90448191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).