ethyl 2-methyl-2-(3-methyl-1H-pyrazol-1-yl)propanoate

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Basic information

CAS: 1855899-99-8
Standard SMILES: CCOC(=O)C(C)(C)n1ccc(C)n1
InChIKey: CSIPZUQDDOZLQL-UHFFFAOYSA-N
Molecular formula: C10H16N2O2
Average molar mass: 196.25 g/mol
Monoisotopic mass: 196.12117776

Names & identifiers

Preferred name: ethyl 2-methyl-2-(3-methyl-1H-pyrazol-1-yl)propanoate
IUPAC: ethyl 2-methyl-2-(3-methylpyrazol-1-yl)propanoate

Names & synonyms

1855899-99-8ethyl 2-methyl-2-(3-methyl-1H-pyrazol-1-yl)propanoateethyl 2-methyl-2-(3-methylpyrazol-1-yl)propanoateMFCD29910391DTXSID901201981AKOS0302477431H-Pyrazole-1-acetic acid, I+/-,I+/-,3-trimethyl-, ethyl ester

Database identifiers

CAS: 1855899-99-8
PubChem CID: 122169307
DTXSID: DTXSID901201981

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 44.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 216

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