Ethyl 1-phenyl-5-[(propan-2-yl)oxy]-1H-pyrazole-3-carboxylate

HCID 12334792

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Basic information

CAS: 60872-10-8
Standard SMILES: CCOC(=O)c1cc(OC(C)C)n(-c2ccccc2)n1
InChIKey: VYRLCRRPXGCVFF-UHFFFAOYSA-N
Molecular formula: C15H18N2O3
Average molar mass: 274.31 g/mol
Monoisotopic mass: 274.13174244

Names & identifiers

Preferred name: Ethyl 1-phenyl-5-[(propan-2-yl)oxy]-1H-pyrazole-3-carboxylate
IUPAC: ethyl 1-phenyl-5-propan-2-yloxypyrazole-3-carboxylate

Names & synonyms

60872-10-8Ethyl 1-phenyl-5-[(propan-2-yl)oxy]-1H-pyrazole-3-carboxylate1H-Pyrazole-3-carboxylic acid, 5-(1-methylethoxy)-1-phenyl-, ethyl esterethyl 1-phenyl-5-propan-2-yloxypyrazole-3-carboxylateDTXSID00491090

Database identifiers

CAS: 60872-10-8
PubChem CID: 12334792
DTXSID: DTXSID00491090

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 53.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 20
Formal charge: 0
Complexity: 316

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