Basic information
- CAS
7436-92-2- Standard SMILES
CCCN(CCC)CCOc1cc(C)nn1Cc1ccccc1- InChIKey
LBLXTKXXEUBCGP-UHFFFAOYSA-N- Molecular formula
- C19H29N3O
- Average molar mass
- 315.5 g/mol
- Monoisotopic mass
- 315.23106256
Names & identifiers
- Preferred name
- Pyrazole, 1-benzyl-5-(2-(dipropylamino)ethoxy)-3-methyl-
- IUPAC
- N-[2-(2-benzyl-5-methylpyrazol-3-yl)oxyethyl]-N-propylpropan-1-amine
- English name
- 1-Benzyl-5-[2-(dipropylamino)ethoxy]-3-methyl-1H-pyrazole
- Molecular formula
- C19H29N3O
- Molecular weight
- 315.45
Names & synonyms
7436-92-2Pyrazole, 1-benzyl-5-(2-(dipropylamino)ethoxy)-3-methyl-BRN 0894719B-3151-Benzyl-5-(2-(dipropylamino)ethoxy)-3-methylpyrazoleDTXSID10225363N-{2-[(1-Benzyl-3-methyl-1H-pyrazol-5-yl)oxy]ethyl}-N-propylpropan-1-amine1-Benzyl-5-[2-(dipropylamino)ethoxy]-3-methyl-1H-pyrazole1-Propanamine, N-[2-[[3-methyl-1-(phenylmethyl)-1H-pyrazol-5-yl]oxy]ethyl]-N-propyl-
Database identifiers
- CAS
7436-92-2- PubChem CID
- 202082
- DTXSID
DTXSID10225363- Nikkaji
- J51.203F
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Boiling point
- 453.6 · 453.6±45.0 °C(Predicted)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- pka
- 8.88 · 8.88±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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