Basic information
- CAS
337975-77-6- Standard SMILES
Cc1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1- InChIKey
KJTYQAYFNWYLFE-UHFFFAOYSA-N- Molecular formula
- C17H16N4O
- Average molar mass
- 292.33 g/mol
- Monoisotopic mass
- 292.13241115
Names & identifiers
- Preferred name
- 3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
- IUPAC
- 1-(5-methyl-2-phenylpyrazol-3-yl)-3-phenylurea
Names & synonyms
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylureaRefChem:492122887-572-2337975-77-61-(5-Methyl-2-phenyl-2H-pyrazol-3-yl)-3-phenyl-urea1-(5-methyl-2-phenylpyrazol-3-yl)-3-phenylureaCHEMBL869621-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-phenylureaN-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-N'-phenylureaUrea, N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-N'-phenyl-MLS000061780Maybridge4_001751
Show more names
Oprea1_094438Oprea1_579099SCHEMBL13235060DTXSID80352953HMS1525P13HMS2350M04MNA97577BDBM50115223
Database identifiers
- CAS
337975-77-6- PubChem CID
- 736191
- DTXSID
DTXSID80352953- ChEMBL
CHEMBL86962- EC Number
- 887-572-2
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 364
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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