Basic information
- CAS
1340414-33-6- Standard SMILES
CCc1ccc(Cn2nccc2C)s1- InChIKey
VRRKTEGYFOEANM-UHFFFAOYSA-N- Molecular formula
- C11H14N2S
- Average molar mass
- 206.31 g/mol
- Monoisotopic mass
- 206.08776963
Names & identifiers
- Preferred name
- 1-[(5-ethylthiophen-2-yl)methyl]-5-methyl-1H-pyrazole
- IUPAC
- 1-[(5-ethylthiophen-2-yl)methyl]-5-methylpyrazole
Names & synonyms
DTXSID801219688AKOS0137745641-[(5-ethylthiophen-2-yl)methyl]-5-methyl-1H-pyrazole1H-Pyrazole, 1-[(5-ethyl-2-thienyl)methyl]-5-methyl-1340414-33-6
Database identifiers
- CAS
1340414-33-6- PubChem CID
- 64451007
- DTXSID
DTXSID801219688
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…