Basic information
- CAS
176721-13-4- Standard SMILES
COc1ccc2c(c1)-c1c(cnn1C[C@H](C)N)C2- InChIKey
FVSRKIVNUPQRFL-VIFPVBQESA-N- Molecular formula
- C14H17N3O
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.13716217
Names & identifiers
- Preferred name
- Indeno(1,2-c)pyrazole-1(4H)-ethanamine, 7-methoxy-alpha-methyl-, (S)-
- IUPAC
- (2S)-1-(7-methoxy-4H-indeno[2,1-d]pyrazol-1-yl)propan-2-amine
Names & synonyms
Ro 60-0441CHEMBL4092042176721-13-4Indeno(1,2-c)pyrazole-1(4H)-ethanamine, 7-methoxy-alpha-methyl-, (S)-DTXSID50170181BDBM50254783(2S)-1-(7-Methoxyindeno[1,2-c]pyrazol-1(4H)-yl)propan-2-amineIndeno(1,2-c)pyrazole-1(4H)-ethanamine, 7-methoxy-alpha-methyl-, (alphaS)-
Database identifiers
- CAS
176721-13-4- PubChem CID
- 3045236
- DTXSID
DTXSID50170181- ChEMBL
CHEMBL4092042- Nikkaji
- J973.440F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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