Basic information
- CAS
492426-35-4- Standard SMILES
Nc1ccn(Cc2ccc(F)cc2)n1- InChIKey
BRLBWYABRIQTGX-UHFFFAOYSA-N- Molecular formula
- C10H10FN3
- Average molar mass
- 191.2 g/mol
- Monoisotopic mass
- 191.08587549
Names & identifiers
- Preferred name
- 1-(4-Fluorobenzyl)-1H-pyrazol-3-amine
- IUPAC
- 1-[(4-fluorophenyl)methyl]pyrazol-3-amine
- English name
- 1-(4-FLUORO-BENZYL)-1H-PYRAZOL-3-YLAMINE
- Molecular formula
- C10H10FN3
- Molecular weight
- 191.2
Names & synonyms
492426-35-41-(4-Fluorobenzyl)-1H-pyrazol-3-amine1-(4-Fluoro-benzyl)-1H-pyrazol-3-ylamine1-[(4-fluorophenyl)methyl]pyrazol-3-amine1-[(4-fluorophenyl)methyl]-1h-pyrazol-3-amineMFCD020565661-[(4-fluorophenyl)methyl]pyrazole-3-ylamine1-(4-fluorobenzyl)-1H-pyrazol-3-ylamine1-(4-Fluoro-benzyl)-1 H -pyrazol-3-ylamineOprea1_049285MLS000765756SCHEMBL2271144
Show more names
AKOS B000496AKOS PAO-1319TIMTEC-BB SBB009176ART-CHEM-BB B0004961H-Pyrazol-3-amine, 1-[(4-fluorophenyl)methyl]-
CHEMBL1358858TQP1412DTXSID401327128HMS1700P01HMS2676K11SUA42635BBL029554SBB009176
Database identifiers
- CAS
492426-35-4- PubChem CID
- 573281
- DTXSID
DTXSID401327128- ChEMBL
CHEMBL1358858
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
Experimental & physicochemical properties
Solubility19.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 374.1 · 374.1±27.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 3.85 · 3.85±0.10(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
成都效佳科技有限公司15902830537 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
8 records
Compound notes
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