5-[[butyl(2-hydroxyethyl)amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C13H20N4O2 — CID 111109834

IUPAC5-[[butyl(2-hydroxyethyl)amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCCN(CCO)Cc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C13H20N4O2/c1-2-3-6-16(7-8-18)10-11-9-13(19)17-12(15-11)4-5-14-17/h4-5,9,14,18H,2-3,6-8,10H2,1H3
InChIKeyFQYBKWQTHXYTGK-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.62
Rot. Bonds7

About 5-[[butyl(2-hydroxyethyl)amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[[butyl(2-hydroxyethyl)amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 111109834) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-[[butyl(2-hydroxyethyl)amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[butyl(2-hydroxyethyl)amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID111109834
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-[[butyl(2-hydroxyethyl)amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCCN(CCO)Cc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C13H20N4O2/c1-2-3-6-16(7-8-18)10-11-9-13(19)17-12(15-11)4-5-14-17/h4-5,9,14,18H,2-3,6-8,10H2,1H3
InChIKeyFQYBKWQTHXYTGK-UHFFFAOYSA-N
XLogP0.62
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[butyl(2-hydroxyethyl)amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one 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 5-[[butyl(2-hydroxyethyl)amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[butyl(2-hydroxyethyl)amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 111109834) is 5-[[butyl(2-hydroxyethyl)amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[butyl(2-hydroxyethyl)amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[butyl(2-hydroxyethyl)amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCCN(CCO)Cc1cc(=O)n2[nH]ccc2n1.
What is the InChIKey of 5-[[butyl(2-hydroxyethyl)amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FQYBKWQTHXYTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-3-6-16(7-8-18)10-11-9-13(19)17-12(15-11)4-5-14-17/h4-5,9,14,18H,2-3,6-8,10H2,1H3.
What are the key properties of 5-[[butyl(2-hydroxyethyl)amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[butyl(2-hydroxyethyl)amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 264.33 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[butyl(2-hydroxyethyl)amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 111109834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).