1-(3-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
Basic information
- CAS
925650-30-2- Standard SMILES
Cc1nn(Cc2cccc(F)c2)c(C)c1N- InChIKey
RBFLYXAWVXOQNS-UHFFFAOYSA-N- Molecular formula
- C12H14FN3
- Average molar mass
- 219.26 g/mol
- Monoisotopic mass
- 219.11717562
Names & identifiers
- Preferred name
- 1-(3-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
- IUPAC
- 1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
- English name
- 1-(3-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine(SALTDATA: FREE)
- Molecular formula
- C12H14FN3
- Molecular weight
- 219.26
Names & synonyms
1-(3-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine925650-30-2MFCD034225181-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine1-[(3-fluorophenyl)methyl]-3,5-dimethyl-1h-pyrazol-4-amine1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-ylamineSCHEMBL16832960DTXSID60427097ALBB-002150SBB021219STK312862AKOS000221774
Show more names
[1-(3-fluorobenzyl)-3,5-dimethyl-pyrazol-4-yl]amine1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolamine1H-Pyrazol-4-amine, 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-1-(3-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine(SALTDATA: FREE)
LS-01162CS-0282723ST45092004EN300-228944H219751-(3-Fluoro-benzyl)-3,5-dimethyl-1H-pyrazol-4-ylamine1-[(3-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-amine1-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine--hydrogen chloride (1/2)
Database identifiers
- CAS
925650-30-2- PubChem CID
- 7019285
- DTXSID
DTXSID60427097
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 371 · 371.0±42.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 4.43 · 4.43±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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