Basic information
- CAS
321166-44-3- Standard SMILES
COC(=O)c1ccc(NC(=O)Cn2nc(C)cc2C)cc1- InChIKey
IESUBGQLJYWTCH-UHFFFAOYSA-N- Molecular formula
- C15H17N3O3
- Average molar mass
- 287.31 g/mol
- Monoisotopic mass
- 287.12699141
Names & identifiers
- Preferred name
- Methyl 4-(2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamido)benzoate
- IUPAC
- methyl 4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoate
Names & synonyms
321166-44-3Methyl 4-(2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamido)benzoateMethyl 4-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamido]benzoateOprea1_316759Oprea1_665408MLS000689140CHEMBL1568352DTXSID901321682HMS2713I22methyl 4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoate4-[2-(3,5-Dimethyl-pyrazol-1-yl)-acetylamino]-benzoic acid methyl esterAKOS000569984
Show more names
ASN 00867728SMR000283304ST061110AG-690/12352188methyl 4-[2-(3,5-dimethylpyrazolyl)acetylamino]benzoateMethyl4-(2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamido)benzoatemethyl 4-{[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]amino}benzoate
Database identifiers
- CAS
321166-44-3- PubChem CID
- 856356
- DTXSID
DTXSID901321682- ChEMBL
CHEMBL1568352
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
Experimental & physicochemical properties
Solubility36.6 [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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