1-[5-(2-Methyl-[1,3]dioxolan-2-yl)-furan-2-ylmethyl]-4-nitro-1H-pyrazole

HCID 66928564
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Basic information

Standard SMILES
CC1(c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)OCCO1
InChIKey
UGKPYGNFCSEANL-UHFFFAOYSA-N
Molecular formula
C12H13N3O5
Average molar mass
279.25 g/mol
Monoisotopic mass
279.08552052

Names & identifiers

Preferred name
1-[5-(2-Methyl-[1,3]dioxolan-2-yl)-furan-2-ylmethyl]-4-nitro-1H-pyrazole
IUPAC
1-[[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]methyl]-4-nitropyrazole

Names & synonyms

SCHEMBL1166548UGKPYGNFCSEANL-UHFFFAOYSA-N1-[5-(2-Methyl-[1,3]dioxolan-2-yl)-furan-2-ylmethyl]-4-nitro-1H-pyrazole

Database identifiers

PubChem CID
66928564

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
95.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
20

Related reactions

4 records
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Compound notes

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