Basic information
- CAS
861251-10-7- Standard SMILES
COc1cc(-c2cn[nH]c2N)cc(OC)c1OC- InChIKey
DYGFJYIWPGCIEE-UHFFFAOYSA-N- Molecular formula
- C12H15N3O3
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.11134135
Names & identifiers
- Preferred name
- 4-(3,4,5-Trimethoxyphenyl)-1H-pyrazol-3-amine
- IUPAC
- 4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amine
- English name
- CHEMBRDG-BB 9004579
- Molecular formula
- C12H15N3O3
- Molecular weight
- 249.27
Names & synonyms
4-(3,4,5-Trimethoxyphenyl)-1H-pyrazol-3-amine861251-10-74-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amineSMR000144107MLS000537865SCHEMBL4178859CHEMBL1573792DTXSID00359560DYGFJYIWPGCIEE-UHFFFAOYSA-NHMS1627F03HMS2456L16AKOS001835407
Show more names
CHEMBRDG-BB 90045791H-Pyrazol-3-amine, 4-(3,4,5-trimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine(SALTDATA: FREE)
DB-348586SR-010003046664-(3,4,5-trimethoxy-phenyl)-2H-pyrazol-3-ylamineSR-01000304666-1
Database identifiers
- CAS
861251-10-7- PubChem CID
- 970677
- DTXSID
DTXSID00359560- ChEMBL
CHEMBL1573792
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 439.1 · 439.1±45.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- pka
- 14.85 · 14.85±0.50(Predicted)
Chemistry & industry
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…