3-ethyl-4-phenyl-1H-pyrazol-5-amine
Basic information
- CAS
110335-22-3- Standard SMILES
CCc1[nH]nc(N)c1-c1ccccc1- InChIKey
CXZWOBWWNRMXCN-UHFFFAOYSA-N- Molecular formula
- C11H13N3
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.11094743
Names & identifiers
- Preferred name
- 3-ethyl-4-phenyl-1H-pyrazol-5-amine
- IUPAC
- 5-ethyl-4-phenyl-1H-pyrazol-3-amine
- English name
- 5-ETHYL-4-PHENYL-2H-PYRAZOL-3-YLAMINE
- Molecular formula
- C11H13N3
- Molecular weight
- 187.24
Names & synonyms
3-ethyl-4-phenyl-1H-pyrazol-5-amine110335-22-3DTXSID00356195RefChem:1067792DTXCID103072545-ethyl-4-phenyl-1H-pyrazol-3-amine5-Ethyl-4-phenyl-2H-pyrazol-3-ylamine890014-39-8F3250-06343-ethyl-4-phenylpyrazole-5-ylamine1H-Pyrazol-3-amine, 5-ethyl-4-phenyl-SCHEMBL13516192
Show more names
3-ethyl-4-phenyl-5-pyrazolylamineSMSSF-0055613KEA33522SBB017995AKOS000272071CCG-311320ST083223CS-0440810
Database identifiers
- CAS
110335-22-3- PubChem CID
- 820346
- DTXSID
DTXSID00356195
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 177
Experimental & physicochemical properties
LogP1.96
Physicochemical properties
- Boiling point
- 411.7 · 411.7±45.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 15.78 · 15.78±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- Hazard Codes
- Xi
- 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_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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