Basic information
- CAS
955963-46-9- Standard SMILES
COc1ccc(-c2cnn(-c3nc(-c4ccccc4F)cs3)c2N)cc1- InChIKey
DUSVPEDWQZNECI-UHFFFAOYSA-N- Molecular formula
- C19H15FN4OS
- Average molar mass
- 366.4 g/mol
Names & identifiers
- Preferred name
- 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-1H-pyrazol-5-amine
- IUPAC
- 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)pyrazol-5-amine
- English name
- 1-[4-(2-Fluorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-1H-pyrazol-5-amine
- Molecular formula
- C19H15FN4OS
- Molecular weight
- 366.41
Names & synonyms
955963-46-91-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-1H-pyrazol-5-amine2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)pyrazol-3-amineZINC01386190MFCD03305684AKOS0050907743T-08672-[4-(2-fluorophenyl)thiazol-2-yl]-4-(4-methoxyphenyl)pyrazol-3-amine1-(4-(2-Fluorophenyl)thiazol-2-yl)-4-(4-methoxyphenyl)-1H-pyrazol-5-amine1H-Pyrazol-5-amine, 1-[4-(2-fluorophenyl)-2-thiazolyl]-4-(4-methoxyphenyl)-1-[4-(2-FLUOROPHENYL)-1,3-THIAZOL-2-YL]-4-(4-METHOXYPHENYL)-1H-PYRAZOL-5-YLAMINE
Database identifiers
- CAS
955963-46-9
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 465
Physicochemical properties
- Boiling point
- 593.5 · 593.5±60.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- -0.88 · -0.88±0.19(Predicted)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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