Basic information
- Standard SMILES
COc1cccc(CNC(=O)c2n[nH]c3ccccc23)c1- InChIKey
ORAJFODOPSGMMO-UHFFFAOYSA-N- Molecular formula
- C16H15N3O2
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.11642672
Names & identifiers
- Preferred name
- N-[(3-methoxyphenyl)methyl]-1H-indazole-3-carboxamide
- IUPAC
- N-[(3-methoxyphenyl)methyl]-1H-indazole-3-carboxamide
Names & synonyms
N-[(3-methoxyphenyl)methyl]-1H-indazole-3-carboxamide850016-95-4MLS000772692CHEMBL1576415DTXSID301326115HMS2721K15AKOS008934841AKOS024651465SMR000344629N-(3-methoxybenzyl)-1H-indazole-3-carboxamideZ33458440F2491-0081
Database identifiers
- CAS
850016-95-4- PubChem CID
- 2594697
- DTXSID
DTXSID301326115- ChEMBL
CHEMBL1576415
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 363
Experimental & physicochemical properties
Solubility3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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