Basic information
- CAS
514800-78-3- Standard SMILES
Cc1nn(Cc2ccc(F)cc2)c(C)c1N- InChIKey
DHAGCICJYVETKE-UHFFFAOYSA-N- Molecular formula
- C12H14FN3
- Average molar mass
- 219.26 g/mol
- Monoisotopic mass
- 219.11717562
Names & identifiers
- Preferred name
- 1-((4-Fluorophenyl)methyl)-3,5-dimethyl-1H-pyrazol-4-amine
- IUPAC
- 1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
- English name
- 1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine(SALTDATA: 1.25HCl 0.5H2O)
- Molecular formula
- C12H14FN3
- Molecular weight
- 219.26
Names & synonyms
514800-78-31-[(4-fluorophenyl)methyl]-3,5-dimethyl-1h-pyrazol-4-amine1-((4-Fluorophenyl)methyl)-3,5-dimethyl-1H-pyrazol-4-amineRefChem:2221311-(4-Fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amineMFCD020556321-[(4-Fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-amineCHEMBL56618871-(4-Fluoro-benzyl)-3,5-dimethyl-1H-pyrazol-4-ylamine1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-ylamineOprea1_625516
Show more names
Pyrazol-4-amine, 1-(4-fluorobenzyl)-3,5-dimethyl-[1-(4-fluorobenzyl)-3,5-dimethyl-pyrazol-4-yl]amine1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolamine1H-Pyrazol-4-amine, 1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine(SALTDATA: 1.25HCl 0.5H2O)
SCHEMBL16832376DHAGCICJYVETKE-UHFFFAOYSA-NDTXSID901191055ALBB-000290SBB009168STK327532AKOS000221734LS-01068
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
- 228
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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