1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol

C15H16N4O2 — CID 166374640

IUPAC1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol
SMILESNCC(O)COc1ccc(-c2cnn3cccnc23)cc1
InChIInChI=1S/C15H16N4O2/c16-8-12(20)10-21-13-4-2-11(3-5-13)14-9-18-19-7-1-6-17-15(14)19/h1-7,9,12,20H,8,10,16H2
InChIKeyUDCGYXHSWXKXPP-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.09
Rot. Bonds5

About 1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol

1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol (PubChem CID 166374640) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol
PubChem CID166374640
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol
SMILESNCC(O)COc1ccc(-c2cnn3cccnc23)cc1
InChIInChI=1S/C15H16N4O2/c16-8-12(20)10-21-13-4-2-11(3-5-13)14-9-18-19-7-1-6-17-15(14)19/h1-7,9,12,20H,8,10,16H2
InChIKeyUDCGYXHSWXKXPP-UHFFFAOYSA-N
XLogP1.09
TPSA85.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol 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 1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol?
The IUPAC name of 1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol (CID 166374640) is 1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol is NCC(O)COc1ccc(-c2cnn3cccnc23)cc1.
What is the InChIKey of 1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol?
The InChIKey is UDCGYXHSWXKXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-8-12(20)10-21-13-4-2-11(3-5-13)14-9-18-19-7-1-6-17-15(14)19/h1-7,9,12,20H,8,10,16H2.
What are the key properties of 1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol?
1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol has a molecular weight of 284.32 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)propan-2-ol is sourced from PubChem (CID 166374640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).