1-(2,2-Diethoxyethyl)-1'-(4-methoxybenzyl)-N-(2-methyl-5-nitrophenyl)-1H,1'H-3,4'-bipyrazole-5-amine

HCID 86690959
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Basic information

Standard SMILES
CCOC(Cn1nc(-c2cnn(Cc3ccc(OC)cc3)c2)cc1Nc1cc([N+](=O)[O-])ccc1C)OCC
InChIKey
QEGCOJPKFCWSNR-UHFFFAOYSA-N
Molecular formula
C27H32N6O5
Average molar mass
520.6 g/mol

Names & identifiers

Preferred name
1-(2,2-Diethoxyethyl)-1'-(4-methoxybenzyl)-N-(2-methyl-5-nitrophenyl)-1H,1'H-3,4'-bipyrazole-5-amine
IUPAC
1-(2,2-diethoxyethyl)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(2-methyl-5-nitrophenyl)pyrazol-5-amine

Names & synonyms

SCHEMBL15123130QEGCOJPKFCWSNR-UHFFFAOYSA-N1-(2,2-Diethoxyethyl)-1'-(4-methoxybenzyl)-N-(2-methyl-5-nitrophenyl)-1H,1'H-3,4'-bipyrazole-5-amine

Database identifiers

PubChem CID
86690959

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
121 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
12
Heavy atoms
38

Related reactions

1 records
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Compound notes

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