Dimethyl 1-(2-isopropoxyethyl)-4-nitro-1H-pyrazole-3,5-dicarboxylate

HCID 57799200
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Basic information

Standard SMILES
COC(=O)c1nn(CCOC(C)C)c(C(=O)OC)c1[N+](=O)[O-]
InChIKey
JQUWLNTZJPSPEM-UHFFFAOYSA-N
Molecular formula
C12H17N3O7
Average molar mass
315.28 g/mol

Names & identifiers

Preferred name
Dimethyl 1-(2-isopropoxyethyl)-4-nitro-1H-pyrazole-3,5-dicarboxylate
IUPAC
dimethyl 4-nitro-1-(2-propan-2-yloxyethyl)pyrazole-3,5-dicarboxylate

Names & synonyms

SCHEMBL8295680JQUWLNTZJPSPEM-UHFFFAOYSA-NDimethyl 1-(2-isopropoxyethyl)-4-nitro-1H-pyrazole-3,5-dicarboxylate

Database identifiers

PubChem CID
57799200

Properties

Computed structural properties

XLogP
1
Topological polar surface area
125 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
22

Related reactions

3 records
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Compound notes

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