2-[[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol

C15H14N4O3 — CID 24866217

IUPAC2-[[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
SMILESOCCNc1ccn2ncc(-c3ccc4c(c3)OCO4)c2n1
InChIInChI=1S/C15H14N4O3/c20-6-4-16-14-3-5-19-15(18-14)11(8-17-19)10-1-2-12-13(7-10)22-9-21-12/h1-3,5,7-8,20H,4,6,9H2,(H,16,18)
InChIKeyZCPFRXHHHDGQRP-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.53
Rot. Bonds4

About 2-[[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol

2-[[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol (PubChem CID 24866217) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-[[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
PubChem CID24866217
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name2-[[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
SMILESOCCNc1ccn2ncc(-c3ccc4c(c3)OCO4)c2n1
InChIInChI=1S/C15H14N4O3/c20-6-4-16-14-3-5-19-15(18-14)11(8-17-19)10-1-2-12-13(7-10)22-9-21-12/h1-3,5,7-8,20H,4,6,9H2,(H,16,18)
InChIKeyZCPFRXHHHDGQRP-UHFFFAOYSA-N
XLogP1.53
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol 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 2-[[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
The IUPAC name of 2-[[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol (CID 24866217) is 2-[[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
The canonical SMILES for 2-[[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol is OCCNc1ccn2ncc(-c3ccc4c(c3)OCO4)c2n1.
What is the InChIKey of 2-[[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
The InChIKey is ZCPFRXHHHDGQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-6-4-16-14-3-5-19-15(18-14)11(8-17-19)10-1-2-12-13(7-10)22-9-21-12/h1-3,5,7-8,20H,4,6,9H2,(H,16,18).
What are the key properties of 2-[[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
2-[[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol has a molecular weight of 298.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol is sourced from PubChem (CID 24866217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).