2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid

C12H15N3O3 — CID 104734666

IUPAC2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid
SMILESCc1cc2c(=O)n(CC(C)(C)C(=O)O)ccn2n1
InChIInChI=1S/C12H15N3O3/c1-8-6-9-10(16)14(4-5-15(9)13-8)7-12(2,3)11(17)18/h4-6H,7H2,1-3H3,(H,17,18)
InChIKeyPUWACQHRMFAGLA-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.92
Rot. Bonds3

About 2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid

2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid (PubChem CID 104734666) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid
PubChem CID104734666
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid
SMILESCc1cc2c(=O)n(CC(C)(C)C(=O)O)ccn2n1
InChIInChI=1S/C12H15N3O3/c1-8-6-9-10(16)14(4-5-15(9)13-8)7-12(2,3)11(17)18/h4-6H,7H2,1-3H3,(H,17,18)
InChIKeyPUWACQHRMFAGLA-UHFFFAOYSA-N
XLogP0.92
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-hydroxy-3,3-dimethylbutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735275
methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate
CID 104734631
ethyl 5-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)-4-oxopentanoate
CID 103484835
3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carboxylic acid
CID 104734630
5-(2-aminopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734809
5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734713
5-[3,3-dimethyl-2-(methylamino)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734844
5-(2-cyclopentyl-2-oxoethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104751672
2-methyl-5-[4-(propan-2-ylamino)butyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735472
3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanenitrile
CID 104734922
4-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyrimidine-5-carboxylic acid
CID 102974051
1-[2-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)ethyl]triazole-4-carboxylic acid
CID 104734629

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid (CID 104734666) is 2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid is Cc1cc2c(=O)n(CC(C)(C)C(=O)O)ccn2n1.
What is the InChIKey of 2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid?
The InChIKey is PUWACQHRMFAGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8-6-9-10(16)14(4-5-15(9)13-8)7-12(2,3)11(17)18/h4-6H,7H2,1-3H3,(H,17,18).
What are the key properties of 2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid?
2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid has a molecular weight of 249.27 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid is sourced from PubChem (CID 104734666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).