Basic information
- CAS
89258-97-9- Standard SMILES
CC(C)N=CNc1ccc(-c2ccn[nH]2)cc1- InChIKey
ARRTYDZIUIGTTL-UHFFFAOYSA-N- Molecular formula
- C13H16N4
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.13749653
Names & identifiers
- Preferred name
- N'-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]methanimidamide
- IUPAC
- N'-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]methanimidamide
Names & synonyms
89258-97-9SCHEMBL10726638SCHEMBL10726646DTXSID30603205N'-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]methanimidamideN'-(Propan-2-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]methanimidamide
Database identifiers
- CAS
89258-97-9- PubChem CID
- 20165099
- DTXSID
DTXSID30603205
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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