1-{[4-(Benzyloxy)phenyl]methyl}-4,5-dihydro-1H-pyrazol-3-amine
Basic information
- CAS
110299-72-4- Standard SMILES
NC1=NN(Cc2ccc(OCc3ccccc3)cc2)CC1- InChIKey
VODSHKOHUAIMTJ-UHFFFAOYSA-N- Molecular formula
- C17H19N3O
- Average molar mass
- 281.35 g/mol
- Monoisotopic mass
- 281.15281224
Names & identifiers
- Preferred name
- 1-{[4-(Benzyloxy)phenyl]methyl}-4,5-dihydro-1H-pyrazol-3-amine
- IUPAC
- 2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine
Names & synonyms
110299-72-4SCHEMBL10738927DTXSID706034061-{[4-(Benzyloxy)phenyl]methyl}-4,5-dihydro-1H-pyrazol-3-amine
Database identifiers
- CAS
110299-72-4- PubChem CID
- 20195014
- DTXSID
DTXSID70603406
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 344
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