2-(2-methylpropyl)-5H-pyrazolo[1,5-a]pyrazin-4-one

C10H13N3O — CID 55264964

IUPAC2-(2-methylpropyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)Cc1cc2c(=O)[nH]ccn2n1
InChIInChI=1S/C10H13N3O/c1-7(2)5-8-6-9-10(14)11-3-4-13(9)12-8/h3-4,6-7H,5H2,1-2H3,(H,11,14)
InChIKeyXOWXLWHNPDENFH-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.22
Rot. Bonds2

About 2-(2-methylpropyl)-5H-pyrazolo[1,5-a]pyrazin-4-one

2-(2-methylpropyl)-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 55264964) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID55264964
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-(2-methylpropyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)Cc1cc2c(=O)[nH]ccn2n1
InChIInChI=1S/C10H13N3O/c1-7(2)5-8-6-9-10(14)11-3-4-13(9)12-8/h3-4,6-7H,5H2,1-2H3,(H,11,14)
InChIKeyXOWXLWHNPDENFH-UHFFFAOYSA-N
XLogP1.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(2-methylpropyl)-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 55264964) is 2-(2-methylpropyl)-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(2-methylpropyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(2-methylpropyl)-5H-pyrazolo[1,5-a]pyrazin-4-one is CC(C)Cc1cc2c(=O)[nH]ccn2n1.
What is the InChIKey of 2-(2-methylpropyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is XOWXLWHNPDENFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7(2)5-8-6-9-10(14)11-3-4-13(9)12-8/h3-4,6-7H,5H2,1-2H3,(H,11,14).
What are the key properties of 2-(2-methylpropyl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-(2-methylpropyl)-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 191.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 55264964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).