Basic information
- Standard SMILES
CC1=C2OC(C)(CNc3ccc(-c4ccn[nH]4)cc3)CC2C(C)C([N+](=O)[O-])=C1C- InChIKey
AYNBZGRVUAVZDT-UHFFFAOYSA-N- Molecular formula
- C22H26N4O3
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.2004907
Names & identifiers
- Preferred name
- 5-(4-(+/-)-(5-Nitro-2,4,6,7-tetramethyldihydrobenzofuran-2-ylmethyl)aminophenyl)pyrazole
- IUPAC
- 4-(1H-pyrazol-5-yl)-N-[(2,4,6,7-tetramethyl-5-nitro-3a,4-dihydro-3H-1-benzofuran-2-yl)methyl]aniline
Names & synonyms
AYNBZGRVUAVZDT-UHFFFAOYSA-N5-(4-(+/-)-(5-nitro-2,4,6,7-tetramethyldihydrobenzofuran-2-ylmethyl)aminophenyl)pyrazole
Database identifiers
- PubChem CID
- 86608809
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 95.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 720
Related reactions
1 records
Compound notes
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