5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine
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Basic information
- CAS
502133-05-3- Standard SMILES
COc1cc(-c2cc(N)n[nH]2)cc(OC)c1OC- InChIKey
ZASLKPOJZFAGHA-UHFFFAOYSA-N- Molecular formula
- C12H15N3O3
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.11134135
Names & identifiers
- Preferred name
- 5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine
- IUPAC
- 5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine
- English name
- 5-(3,4,5-Trimethoxyphenyl)-1H-pyrazol-3-amine
- Molecular formula
- C12H15N3O3
- Molecular weight
- 249.27
Names & synonyms
5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine502133-05-33-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amineZINC4234700MFCD026642911H-pyrazol-3-amine, 5-(3,4,5-trimethoxyphenyl)-2850376-29-1ZINC04234700CHEMBL4563331ALBB-016321MFCD16039694STK895684
Show more names
[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]amine
AKOS000184491AKOS0056141425(345trimethoxyphenyl)1Hpyrazol3amineCOc1cc(cc(c1OC)OC)c1(nH)nc(c1)NLS-05068ZINC000004234700CS-03319593(345TRIMETHOXYPHENYL)1HPYRAZOL5AMINE
Database identifiers
- CAS
502133-05-3- PubChem CID
- 3692095
- ChEMBL
CHEMBL4563331
Properties
Computed structural propertiesFilling in
- 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
- 472 · 472.0±45.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- pka
- 14.2 · 14.20±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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