Dimethyl 1-[2-(2-methoxyethoxy)ethyl]-4-nitro-1H-pyrazole-3,5-dicarboxylate

HCID 57799195
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Basic information

Standard SMILES
COCCOCCn1nc(C(=O)OC)c([N+](=O)[O-])c1C(=O)OC
InChIKey
UMANXGVDYYUPSY-UHFFFAOYSA-N
Molecular formula
C12H17N3O8
Average molar mass
331.28 g/mol

Names & identifiers

Preferred name
Dimethyl 1-[2-(2-methoxyethoxy)ethyl]-4-nitro-1H-pyrazole-3,5-dicarboxylate
IUPAC
dimethyl 1-[2-(2-methoxyethoxy)ethyl]-4-nitropyrazole-3,5-dicarboxylate

Names & synonyms

SCHEMBL8295699UMANXGVDYYUPSY-UHFFFAOYSA-NDimethyl 1-[2-(2-methoxyethoxy)ethyl]-4-nitro-1H-pyrazole-3,5-dicarboxylate

Database identifiers

PubChem CID
57799195

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
135 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
10
Heavy atoms
23

Related reactions

3 records
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Compound notes

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