2-{[5-amino-1-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]oxy}ethyl acetate
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Basic information
- Standard SMILES
CC(=O)OCCOc1nn(C)c(N)c1-c1ccc(C)cc1- InChIKey
GFHFGEIRRHWWPC-UHFFFAOYSA-N- Molecular formula
- C15H19N3O3
- Average molar mass
- 289.33 g/mol
- Monoisotopic mass
- 289.14264148
Names & identifiers
- Preferred name
- 2-{[5-amino-1-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]oxy}ethyl acetate
- IUPAC
- 2-[5-amino-1-methyl-4-(4-methylphenyl)pyrazol-3-yl]oxyethyl acetate
Names & synonyms
SCHEMBL6292817GFHFGEIRRHWWPC-UHFFFAOYSA-N2-{[5-amino-1-methyl-4-(4-methylphenyl)-1H-pyrazol-3-yl]oxy}ethyl acetate
Database identifiers
- PubChem CID
- 22282002
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 345
Related reactions
12 records
Compound notes
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