3-(4-Methylbenzyl)-1H-pyrazole-4,5-diamine sulfate
Basic information
- CAS
173994-77-9- Standard SMILES
Cc1ccc(Cc2[nH]nc(N)c2N)cc1.O=S(=O)(O)O- InChIKey
HATXRCZZBCDOSX-UHFFFAOYSA-N- Molecular formula
- C11H16N4O4S
- Average molar mass
- 300.34 g/mol
- Monoisotopic mass
- 300.08922618
Names & identifiers
- Preferred name
- 3-(4-Methylbenzyl)-1H-pyrazole-4,5-diamine sulfate
- IUPAC
- 5-[(4-methylphenyl)methyl]-1H-pyrazole-3,4-diamine;sulfuric acid
Names & synonyms
3-(4-Methylbenzyl)-1H-pyrazole-4,5-diamine sulfateSCHEMBL3338781DTXSID30938448Sulfuric acid--3-imino-5-[(4-methylphenyl)methyl]-2,3-dihydro-1H-pyrazol-4-amine (1/1)
Database identifiers
- CAS
173994-77-9- PubChem CID
- 57370577
- DTXSID
DTXSID30938448
Properties
Computed structural properties
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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