Basic information
- CAS
957312-77-5- Standard SMILES
CCc1c(C)nn(-c2ccc(C(=O)O)cc2)c1C- InChIKey
GHFKRELXCJQVNP-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2
- Average molar mass
- 244.29 g/mol
Names & identifiers
- Preferred name
- 4-(4-Ethyl-3,5-dimethyl-pyrazol-1-yl)-benzoic acid
- IUPAC
- 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzoic acid
- English name
- 4-(4-Ethyl-3,5-dimethyl-pyrazol-1-yl)-benzoic acid
- Molecular formula
- C14H16N2O2
- Molecular weight
- 244.29
Names & synonyms
957312-77-54-(4-Ethyl-3,5-dimethyl-pyrazol-1-yl)-benzoic acid4-(4-Ethyl-3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzoic acid4-(4-ethyl-3,5-dimethylpyrazolyl)benzoic acidXDA84572SBB027816AKOS000112832ST064003CS-03663734-(4-ethyl-3,5-dimethyl-pyrazol-1-yl)benzoic acid4-(4-Ethyl-3,5-dimethyl-1H-pyrazol-1-yl)benzoicacid
Show more names
ASINEX-REAG BAS 10156976Benzoic acid, 4-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-
Database identifiers
- CAS
957312-77-5
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- 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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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