Basic information
- CAS
896254-55-0- Standard SMILES
Cc1nn(C)c(C)c1NC(=O)Nc1ccc(Cl)c(Cl)c1- InChIKey
DKMZNLLUOHHFOR-UHFFFAOYSA-N- Molecular formula
- C13H14Cl2N4O
- Average molar mass
- 313.18 g/mol
- Monoisotopic mass
- 312.0544665
Overview
1-(3,4-dichlorophenyl)-3-(1,3,5-trimethyl-4-pyrazolyl)urea is a member of ureas.
Names & identifiers
- Preferred name
- 1-(3,4-Dichlorophenyl)-3-(1,3,5-trimethyl-4-pyrazolyl)urea
- IUPAC
- 1-(3,4-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
Names & synonyms
1-(3,4-dichlorophenyl)-3-(1,3,5-trimethyl-4-pyrazolyl)urea1-(3,4-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)ureaMLS000771818SMR000344281CHEMBL1393175BDBM78311cid_4885280CHEBI:116096DTXSID101323084HMS2727B23AKOS001378601896254-55-0
Show more names
SR-01000065254SR-01000065254-1Q27198518Z85919532N-(3,4-Dichlorophenyl)-N'-(1,3,5-trimethyl-1H-pyrazol-4-yl)urea
Database identifiers
- CAS
896254-55-0- PubChem CID
- 4885280
- DTXSID
DTXSID101323084- ChEMBL
CHEMBL1393175- ChEBI
CHEBI:116096
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 357
Experimental & physicochemical properties
Solubility4.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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