5-(4-Ethylphenyl)-1-methyl-1H-pyrazole-3-methanamine
Basic information
- CAS
1177343-23-5- Standard SMILES
CCc1ccc(-c2cc(CN)nn2C)cc1- InChIKey
KSGJHGOAKUTRIN-UHFFFAOYSA-N- Molecular formula
- C13H17N3
- Average molar mass
- 215.29 g/mol
- Monoisotopic mass
- 215.14224756
Names & identifiers
- Preferred name
- 5-(4-Ethylphenyl)-1-methyl-1H-pyrazole-3-methanamine
- IUPAC
- [5-(4-ethylphenyl)-1-methylpyrazol-3-yl]methanamine
Names & synonyms
DTXSID1012192251177343-23-55-(4-Ethylphenyl)-1-methyl-1H-pyrazole-3-methanamine1-[5-(4-Ethylphenyl)-1-methyl-1H-pyrazol-3-yl]methanamine
Database identifiers
- CAS
1177343-23-5- PubChem CID
- 28808570
- DTXSID
DTXSID101219225
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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