5-butylpyrazolo[1,5-a]pyrazin-4-one

C10H13N3O — CID 154883945

IUPAC5-butylpyrazolo[1,5-a]pyrazin-4-one
SMILESCCCCn1ccn2nccc2c1=O
InChIInChI=1S/C10H13N3O/c1-2-3-6-12-7-8-13-9(10(12)14)4-5-11-13/h4-5,7-8H,2-3,6H2,1H3
InChIKeyWWZPIIIACYIUBG-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.30
Rot. Bonds3

About 5-butylpyrazolo[1,5-a]pyrazin-4-one

5-butylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 154883945) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-butylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-butylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID154883945
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name5-butylpyrazolo[1,5-a]pyrazin-4-one
SMILESCCCCn1ccn2nccc2c1=O
InChIInChI=1S/C10H13N3O/c1-2-3-6-12-7-8-13-9(10(12)14)4-5-11-13/h4-5,7-8H,2-3,6H2,1H3
InChIKeyWWZPIIIACYIUBG-UHFFFAOYSA-N
XLogP1.30
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-butylpyrazolo[1,5-a]pyrazin-4-one (CID 154883945) is 5-butylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-butylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-butylpyrazolo[1,5-a]pyrazin-4-one is CCCCn1ccn2nccc2c1=O.
What is the InChIKey of 5-butylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is WWZPIIIACYIUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-3-6-12-7-8-13-9(10(12)14)4-5-11-13/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 5-butylpyrazolo[1,5-a]pyrazin-4-one?
5-butylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 191.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 154883945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).