2-methoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid

C11H13N3O5 — CID 141151922

IUPAC2-methoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid
SMILESCOC(=O)c1cc2n(n1)C(C(=O)O)C(C)(C)NC2=O
InChIInChI=1S/C11H13N3O5/c1-11(2)7(9(16)17)14-6(8(15)12-11)4-5(13-14)10(18)19-3/h4,7H,1-3H3,(H,12,15)(H,16,17)
InChIKeyDQDQDZINBASJGO-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.18
Rot. Bonds2

About 2-methoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid

2-methoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid (PubChem CID 141151922) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-methoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-methoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid
PubChem CID141151922
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-methoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid
SMILESCOC(=O)c1cc2n(n1)C(C(=O)O)C(C)(C)NC2=O
InChIInChI=1S/C11H13N3O5/c1-11(2)7(9(16)17)14-6(8(15)12-11)4-5(13-14)10(18)19-3/h4,7H,1-3H3,(H,12,15)(H,16,17)
InChIKeyDQDQDZINBASJGO-UHFFFAOYSA-N
XLogP-0.18
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 171689516
sodium 2-methoxycarbonyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-5-carboxylate
CID 91886851
methyl 4-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;hydrochloride
CID 119099129
methyl 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylate
CID 139512246
methyl 1-methyl-6-oxopyrimidine-4-carboxylate
CID 141087181
methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 118705226
dimethyl 5-aminopyrazole-1,3-dicarboxylate
CID 163321502
8-fluoro-2-methoxycarbonylimidazo[1,5-a]pyrimidine-4-carboxylic acid
CID 91517574
methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62267837
methyl 5-(furan-3-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylate
CID 166313594
methyl 5-[(4-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475682
methyl 3,4-dimethyl-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidine-7-carboxylate
CID 142502746

Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid?
The IUPAC name of 2-methoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid (CID 141151922) is 2-methoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-methoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-methoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid is COC(=O)c1cc2n(n1)C(C(=O)O)C(C)(C)NC2=O.
What is the InChIKey of 2-methoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid?
The InChIKey is DQDQDZINBASJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-11(2)7(9(16)17)14-6(8(15)12-11)4-5(13-14)10(18)19-3/h4,7H,1-3H3,(H,12,15)(H,16,17).
What are the key properties of 2-methoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid?
2-methoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 141151922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).