4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethyl-1-methyl-1H-pyrazol-5-amine
Basic information
- CAS
1152652-75-9- Standard SMILES
CCc1nn(C)c(N)c1-c1ccc2c(c1)OCCO2- InChIKey
HFRJOSDBSHQGQC-UHFFFAOYSA-N- Molecular formula
- C14H17N3O2
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.13207679
Names & identifiers
- Preferred name
- 4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethyl-1-methyl-1H-pyrazol-5-amine
- IUPAC
- 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-1-methylpyrazol-5-amine
Names & synonyms
DTXSID5011504754-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethyl-1-methyl-1H-pyrazol-5-amine1152652-75-9
Database identifiers
- CAS
1152652-75-9- PubChem CID
- 43336719
- DTXSID
DTXSID501150475
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
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