1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one

C14H19N5O — CID 110874046

IUPAC1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C14H19N5O/c1-2-3-14(20)18-10-8-17(9-11-18)13-5-6-15-12-4-7-16-19(12)13/h4-7H,2-3,8-11H2,1H3
InChIKeyGXIVYRJFCOBHTQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.18
Rot. Bonds3

About 1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one

1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one (PubChem CID 110874046) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one
PubChem CID110874046
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C14H19N5O/c1-2-3-14(20)18-10-8-17(9-11-18)13-5-6-15-12-4-7-16-19(12)13/h4-7H,2-3,8-11H2,1H3
InChIKeyGXIVYRJFCOBHTQ-UHFFFAOYSA-N
XLogP1.18
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-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 1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one?
The IUPAC name of 1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one (CID 110874046) is 1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one is CCCC(=O)N1CCN(c2ccnc3ccnn23)CC1.
What is the InChIKey of 1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one?
The InChIKey is GXIVYRJFCOBHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-3-14(20)18-10-8-17(9-11-18)13-5-6-15-12-4-7-16-19(12)13/h4-7H,2-3,8-11H2,1H3.
What are the key properties of 1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one?
1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one has a molecular weight of 273.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 110874046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).