4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]pentan-1-ol

C11H15BrN4O — CID 167974820

IUPAC4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]pentan-1-ol
SMILESCC(CCCO)Nc1ccn2ncc(Br)c2n1
InChIInChI=1S/C11H15BrN4O/c1-8(3-2-6-17)14-10-4-5-16-11(15-10)9(12)7-13-16/h4-5,7-8,17H,2-3,6H2,1H3,(H,14,15)
InChIKeyDBEHJUJMXRSDRT-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.06
Rot. Bonds5

About 4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]pentan-1-ol

4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]pentan-1-ol (PubChem CID 167974820) has the molecular formula C11H15BrN4O and a molecular weight of 299.17 g/mol. Its IUPAC name is 4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]pentan-1-ol
PubChem CID167974820
Molecular FormulaC11H15BrN4O
Molecular Weight299.17 g/mol
Exact Mass298.04
IUPAC Name4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]pentan-1-ol
SMILESCC(CCCO)Nc1ccn2ncc(Br)c2n1
InChIInChI=1S/C11H15BrN4O/c1-8(3-2-6-17)14-10-4-5-16-11(15-10)9(12)7-13-16/h4-5,7-8,17H,2-3,6H2,1H3,(H,14,15)
InChIKeyDBEHJUJMXRSDRT-UHFFFAOYSA-N
XLogP2.06
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]pentan-1-ol?
The IUPAC name of 4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]pentan-1-ol (CID 167974820) is 4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]pentan-1-ol.
What is the SMILES notation for 4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]pentan-1-ol?
The canonical SMILES for 4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]pentan-1-ol is CC(CCCO)Nc1ccn2ncc(Br)c2n1.
What is the InChIKey of 4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]pentan-1-ol?
The InChIKey is DBEHJUJMXRSDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O/c1-8(3-2-6-17)14-10-4-5-16-11(15-10)9(12)7-13-16/h4-5,7-8,17H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]pentan-1-ol?
4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]pentan-1-ol has a molecular weight of 299.17 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]pentan-1-ol is sourced from PubChem (CID 167974820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).