Structure Info
- Chemspace ID
- CSSS00053231699 (In-Stock Screening Compounds)
- CAS
- 111493-88-0
- MFCD
- MFCD34562951
- IUPAC Name
- ethyl 3-(benzyloxy)-1-methyl-1H-pyrazole-4-carboxylate
- Mol formula
- C14H16N2O3
- Mol weight
- 260 Da
- Catalog Number(s)
- AD39862, ArZ-UP358685, BB4LS-EN300-29350832, BBV-96264699, CSC053231699, EN300-29350832, FCH7143353, JH612009, Y3251384, Z2733573927, ZX-NM261335, ZXC362616, s_1458____25972394____483918
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.92
- Heavy atoms count
- 19
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.285
- Polar surface area (Å)
- 53
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSS00053231699
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