2,2-dimethyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoic acid

C12H15N3O3 — CID 113446806

IUPAC2,2-dimethyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoic acid
SMILESCC(C)(CCn1ccn2nccc2c1=O)C(=O)O
InChIInChI=1S/C12H15N3O3/c1-12(2,11(17)18)4-6-14-7-8-15-9(10(14)16)3-5-13-15/h3,5,7-8H,4,6H2,1-2H3,(H,17,18)
InChIKeyZEHJZMWJFOSBDB-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.00
Rot. Bonds4

About 2,2-dimethyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoic acid

2,2-dimethyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoic acid (PubChem CID 113446806) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoic acid
PubChem CID113446806
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2,2-dimethyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoic acid
SMILESCC(C)(CCn1ccn2nccc2c1=O)C(=O)O
InChIInChI=1S/C12H15N3O3/c1-12(2,11(17)18)4-6-14-7-8-15-9(10(14)16)3-5-13-15/h3,5,7-8H,4,6H2,1-2H3,(H,17,18)
InChIKeyZEHJZMWJFOSBDB-UHFFFAOYSA-N
XLogP1.00
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one
CID 104735134
5-butylpyrazolo[1,5-a]pyrazin-4-one
CID 154883945
(Z)-2-methyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)but-2-enoic acid
CID 104734602
5-(5-aminohexyl)pyrazolo[1,5-a]pyrazin-4-one
CID 113446718
(E)-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)but-2-enoic acid
CID 104734580
5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734768
5-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 113446751
2,2-dimethyl-4-(2-oxo-3-propylimidazol-1-yl)butanoic acid
CID 80582740
4-indol-1-yl-2,2-dimethylbutanoic acid
CID 65248466
5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one
CID 146079696
2-[1-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]cyclopropyl]acetic acid
CID 113446805
5-[2-(2-methoxyethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735369

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoic acid?
The IUPAC name of 2,2-dimethyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoic acid (CID 113446806) is 2,2-dimethyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoic acid is CC(C)(CCn1ccn2nccc2c1=O)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoic acid?
The InChIKey is ZEHJZMWJFOSBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-12(2,11(17)18)4-6-14-7-8-15-9(10(14)16)3-5-13-15/h3,5,7-8H,4,6H2,1-2H3,(H,17,18).
What are the key properties of 2,2-dimethyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoic acid?
2,2-dimethyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoic acid has a molecular weight of 249.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoic acid is sourced from PubChem (CID 113446806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).