Ethyl 1-(2-amino-2-oxoethyl)-5-(hydroxymethyl)-3-phenylpyrazole-4-carboxylate

HCID 336161

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Basic information

CAS: 76973-02-9
Standard SMILES: CCOC(=O)c1c(-c2ccccc2)nn(CC(N)=O)c1CO
InChIKey: KVCOABYCGFFYQJ-UHFFFAOYSA-N
Molecular formula: C15H17N3O4
Average molar mass: 303.31 g/mol
Monoisotopic mass: 303.12190603

Names & identifiers

Preferred name: Ethyl 1-(2-amino-2-oxoethyl)-5-(hydroxymethyl)-3-phenylpyrazole-4-carboxylate
IUPAC: ethyl 1-(2-amino-2-oxoethyl)-5-(hydroxymethyl)-3-phenylpyrazole-4-carboxylate

Names & synonyms

NSC34922976973-02-9ethyl 1-(2-amino-2-oxoethyl)-5-(hydroxymethyl)-3-phenylpyrazole-4-carboxylateDTXSID60319680NSC-349229DS-003007ethyl 1-(2-amino-2-oxo-ethyl)-5-(hydroxymethyl)-3-phenyl-pyrazole-4-carboxylateEthyl 1-(2-amino-2-oxoethyl)-5-(hydroxymethyl)-3-phenyl-1H-pyrazole-4-carboxylate1H-Pyrazole-4-carboxylic acid, 1-(2-amino-2-oxoethyl)-5-(hydroxymethyl)-3-phenyl-, ethyl ester1H-PYRAZOLE-4-CARBOXYLICACID, 1-(2-AMINO-2-OXOETHYL)-5-(HYDROXYMETHYL)-3-PHENYL-,ETHYL ESTER

Database identifiers

CAS: 76973-02-9
PubChem CID: 336161
DTXSID: DTXSID60319680

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 107 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 398

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