5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one

C10H13N3O2 — CID 104735134

IUPAC5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(O)CCn1ccn2nccc2c1=O
InChIInChI=1S/C10H13N3O2/c1-8(14)3-5-12-6-7-13-9(10(12)15)2-4-11-13/h2,4,6-8,14H,3,5H2,1H3
InChIKeyISOXLTREWZSUKS-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.27
Rot. Bonds3

About 5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one

5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104735134) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104735134
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(O)CCn1ccn2nccc2c1=O
InChIInChI=1S/C10H13N3O2/c1-8(14)3-5-12-6-7-13-9(10(12)15)2-4-11-13/h2,4,6-8,14H,3,5H2,1H3
InChIKeyISOXLTREWZSUKS-UHFFFAOYSA-N
XLogP0.27
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one
CID 113446718
5-butylpyrazolo[1,5-a]pyrazin-4-one
CID 154883945
2,2-dimethyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoic acid
CID 113446806
5-[2-hydroxy-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734857
5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734768
5-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735255
5-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735161
5-[2-(2-methoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735369
5-[2-cyclopropyl-2-(methylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734789
5-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734481
5-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 113446751
(Z)-2-methyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)but-2-enoic acid
CID 104734602

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one (CID 104735134) is 5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one is CC(O)CCn1ccn2nccc2c1=O.
What is the InChIKey of 5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is ISOXLTREWZSUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-8(14)3-5-12-6-7-13-9(10(12)15)2-4-11-13/h2,4,6-8,14H,3,5H2,1H3.
What are the key properties of 5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one?
5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 207.23 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104735134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).