4-(2,4-Dimethoxyphenyl)-1H-pyrazol-3-amine
Basic information
- CAS
909858-12-4- Standard SMILES
COc1ccc(-c2cn[nH]c2N)c(OC)c1- InChIKey
WGLXODMFXVOPHS-UHFFFAOYSA-N- Molecular formula
- C11H13N3O2
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.10077667
Names & identifiers
- Preferred name
- 4-(2,4-Dimethoxyphenyl)-1H-pyrazol-3-amine
- IUPAC
- 4-(2,4-dimethoxyphenyl)-1H-pyrazol-5-amine
- English name
- CHEMBRDG-BB 9005458
- Molecular formula
- C11H13N3O2
- Molecular weight
- 219.24
Names & synonyms
4-(2,4-Dimethoxyphenyl)-1H-pyrazol-3-amine909858-12-44-(2,4-dimethoxyphenyl)-1H-pyrazol-5-amineMLS000064617CHEMBL1441773DTXSID60359566HMS2448J14AKOS022185160SDCCGMLS-0064471.P001SMR000077277SR-01000304797SR-01000304797-1
Show more names
CHEMBRDG-BB 90054581H-Pyrazol-3-amine, 4-(2,4-dimethoxyphenyl)-4-(2,4-dimethoxyphenyl)-1H-pyrazol-3-amine(SALTDATA: FREE)
Database identifiers
- CAS
909858-12-4- PubChem CID
- 972218
- DTXSID
DTXSID60359566- ChEMBL
CHEMBL1441773
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 416 · 416.0±45.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- pka
- 14.79 · 14.79±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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