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

C9H10BrN3O2 — CID 118975189

IUPAC3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-ol
SMILESOCCCOc1ccn2ncc(Br)c2n1
InChIInChI=1S/C9H10BrN3O2/c10-7-6-11-13-3-2-8(12-9(7)13)15-5-1-4-14/h2-3,6,14H,1,4-5H2
InChIKeyHJDLBKWZPRPXRH-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.25
Rot. Bonds4

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

3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-ol (PubChem CID 118975189) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-ol.

Molecular Properties

Compound Name3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-ol
PubChem CID118975189
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-ol
SMILESOCCCOc1ccn2ncc(Br)c2n1
InChIInChI=1S/C9H10BrN3O2/c10-7-6-11-13-3-2-8(12-9(7)13)15-5-1-4-14/h2-3,6,14H,1,4-5H2
InChIKeyHJDLBKWZPRPXRH-UHFFFAOYSA-N
XLogP1.25
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-ol?
The IUPAC name of 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-ol (CID 118975189) is 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-ol.
What is the SMILES notation for 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-ol?
The canonical SMILES for 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-ol is OCCCOc1ccn2ncc(Br)c2n1.
What is the InChIKey of 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-ol?
The InChIKey is HJDLBKWZPRPXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c10-7-6-11-13-3-2-8(12-9(7)13)15-5-1-4-14/h2-3,6,14H,1,4-5H2.
What are the key properties of 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-ol?
3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-ol has a molecular weight of 272.10 g/mol, XLogP of 1.25, 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-ol is sourced from PubChem (CID 118975189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).