2-(5-Acetamido-4-cyanopyrazol-1-yl)ethyl acetate

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Basic information

CAS: 5346-54-3
Standard SMILES: CC(=O)Nc1c(C#N)cnn1CCOC(C)=O
InChIKey: NXZLZZHJBPIJPV-UHFFFAOYSA-N
Molecular formula: C10H12N4O3
Average molar mass: 236.23 g/mol
Monoisotopic mass: 236.09094026

Names & identifiers

Preferred name: 2-(5-Acetamido-4-cyanopyrazol-1-yl)ethyl acetate
IUPAC: 2-(5-acetamido-4-cyanopyrazol-1-yl)ethyl acetate

Names & synonyms

5346-54-32-(5-acetamido-4-cyanopyrazol-1-yl)ethyl acetateNSC1633DTXSID30277309NSC-16332-(5-Acetamido-4-cyano-1H-pyrazol-1-yl)ethyl acetate5-ACETAMIDO-1-(2-HYDROXYETHYL)PYRAZOLE-4-CARBONITRILE, ACETATE (ESTER)

Database identifiers

CAS: 5346-54-3
PubChem CID: 219853
DTXSID: DTXSID30277309

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 97 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 349

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Compound notes

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