Basic information
- CAS
161398-16-9- Standard SMILES
Cc1ccc(-c2[nH]ncc2C=O)s1- InChIKey
MLUVDLJKEDAKOV-UHFFFAOYSA-N- Molecular formula
- C9H8N2OS
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.03573406
Names & identifiers
- Preferred name
- 1H-Pyrazole-4-carboxaldehyde, 3-(5-methyl-2-thienyl)-
- IUPAC
- 5-(5-methylthiophen-2-yl)-1H-pyrazole-4-carbaldehyde
Names & synonyms
161398-16-91H-Pyrazole-4-carboxaldehyde, 3-(5-methyl-2-thienyl)-SCHEMBL8913872DTXSID0012231063-(5-Methyl-2-thienyl)-1H-pyrazole-4-carboxaldehyde3-(5-Methylthiophen-2-yl)-1H-pyrazole-4-carbaldehyde
Database identifiers
- CAS
161398-16-9- PubChem CID
- 19973535
- DTXSID
DTXSID001223106
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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