methyl 4-(2-methylpyrazol-3-yl)-2,4-dioxobutanoate

C9H10N2O4 — CID 25248220

IUPACmethyl 4-(2-methylpyrazol-3-yl)-2,4-dioxobutanoate
SMILESCOC(=O)C(=O)CC(=O)c1ccnn1C
InChIInChI=1S/C9H10N2O4/c1-11-6(3-4-10-11)7(12)5-8(13)9(14)15-2/h3-4H,5H2,1-2H3
InChIKeyOQSFLPWVAHCOBZ-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.26
Rot. Bonds4

About methyl 4-(2-methylpyrazol-3-yl)-2,4-dioxobutanoate

methyl 4-(2-methylpyrazol-3-yl)-2,4-dioxobutanoate (PubChem CID 25248220) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is methyl 4-(2-methylpyrazol-3-yl)-2,4-dioxobutanoate.

Molecular Properties

Compound Namemethyl 4-(2-methylpyrazol-3-yl)-2,4-dioxobutanoate
PubChem CID25248220
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Namemethyl 4-(2-methylpyrazol-3-yl)-2,4-dioxobutanoate
SMILESCOC(=O)C(=O)CC(=O)c1ccnn1C
InChIInChI=1S/C9H10N2O4/c1-11-6(3-4-10-11)7(12)5-8(13)9(14)15-2/h3-4H,5H2,1-2H3
InChIKeyOQSFLPWVAHCOBZ-UHFFFAOYSA-N
XLogP-0.26
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentane-1,3-dione
CID 106758284
3-methoxy-3-methyl-1-(2-methylpyrazol-3-yl)butan-1-one
CID 103023243
4-(2-methylpyrazol-3-yl)-4-oxobutanoic acid
CID 82407999
1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione
CID 106758299
4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one
CID 58394964
3-(2-methylpyrazol-3-yl)-3-oxopropanenitrile
CID 82417604
1-(2-methylpyrazol-3-yl)-2-propoxyethanone
CID 63961167
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 115345752
2-(1-methoxycyclobutyl)-1-(2-methylpyrazol-3-yl)ethanone
CID 103558819
2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone
CID 63960954
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methylpyrazol-3-yl)-2,4-dioxobutanoate?
The IUPAC name of methyl 4-(2-methylpyrazol-3-yl)-2,4-dioxobutanoate (CID 25248220) is methyl 4-(2-methylpyrazol-3-yl)-2,4-dioxobutanoate.
What is the SMILES notation for methyl 4-(2-methylpyrazol-3-yl)-2,4-dioxobutanoate?
The canonical SMILES for methyl 4-(2-methylpyrazol-3-yl)-2,4-dioxobutanoate is COC(=O)C(=O)CC(=O)c1ccnn1C.
What is the InChIKey of methyl 4-(2-methylpyrazol-3-yl)-2,4-dioxobutanoate?
The InChIKey is OQSFLPWVAHCOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-11-6(3-4-10-11)7(12)5-8(13)9(14)15-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 4-(2-methylpyrazol-3-yl)-2,4-dioxobutanoate?
methyl 4-(2-methylpyrazol-3-yl)-2,4-dioxobutanoate has a molecular weight of 210.19 g/mol, XLogP of -0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methylpyrazol-3-yl)-2,4-dioxobutanoate is sourced from PubChem (CID 25248220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).