(5-Amino-1-(4-methylphenyl)-1H-pyrazol-4-YL)(2-chlorophenyl)methanone
Basic information
- CAS
618091-13-7- Standard SMILES
Cc1ccc(-n2ncc(C(=O)c3ccccc3Cl)c2N)cc1- InChIKey
AAWAKNAHUCPYOT-UHFFFAOYSA-N- Molecular formula
- C17H14ClN3O
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.0825398
Names & identifiers
- Preferred name
- (5-Amino-1-(4-methylphenyl)-1H-pyrazol-4-YL)(2-chlorophenyl)methanone
- IUPAC
- [5-amino-1-(4-methylphenyl)pyrazol-4-yl]-(2-chlorophenyl)methanone
- English name
- (5-Amino-1-p-tolyl-1H-pyrazol-4-yl)(2-chlorophenyl)methanone
- Molecular formula
- C17H14ClN3O
- Molecular weight
- 311.77
Names & synonyms
618091-13-7(5-Amino-1-(4-methylphenyl)-1H-pyrazol-4-YL)(2-chlorophenyl)methanone[5-amino-1-(4-methylphenyl)-1H-pyrazol-4-yl](2-chlorophenyl)methanoneRefChem:403766650-969-4(5-Amino-1-(p-tolyl)-1H-pyrazol-4-yl)(2-chlorophenyl)methanoneAKOS024408727SALOR-INT L251720-1EA(5-Amino-1-p-tolyl-1H-pyrazol-4-yl)(2-chlorophenyl)methanoneMethanone, [5-amino-1-(4-methylphenyl)-1H-pyrazol-4-yl](2-chlorophenyl)-
Database identifiers
- CAS
618091-13-7- PubChem CID
- 4098765
- EC Number
- 650-969-4
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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