1-Methyl-3-(5,6,7,8-tetrahydro-2-naphthalenyl)-1H-pyrazole-4-acetonitrile
Basic information
- CAS
1176426-84-8- Standard SMILES
Cn1cc(CC#N)c(-c2ccc3c(c2)CCCC3)n1- InChIKey
LCZFTDLUZXEKST-UHFFFAOYSA-N- Molecular formula
- C16H17N3
- Average molar mass
- 251.33 g/mol
- Monoisotopic mass
- 251.14224756
Names & identifiers
- Preferred name
- 1-Methyl-3-(5,6,7,8-tetrahydro-2-naphthalenyl)-1H-pyrazole-4-acetonitrile
- IUPAC
- 2-[1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]acetonitrile
Names & synonyms
DTXSID5011477011-Methyl-3-(5,6,7,8-tetrahydro-2-naphthalenyl)-1H-pyrazole-4-acetonitrile1176426-84-8[1-Methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetonitrile
Database identifiers
- CAS
1176426-84-8- PubChem CID
- 39097015
- DTXSID
DTXSID501147701
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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