Furan-2-yl-[3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
Basic information
- CAS
710985-97-0- Standard SMILES
COc1cccc(C2=NN(C(=O)c3ccco3)C(c3ccco3)C2)c1- InChIKey
WXMVTMPDXNTQPV-UHFFFAOYSA-N- Molecular formula
- C19H16N2O4
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 336.111007
Names & identifiers
- Preferred name
- Furan-2-yl-[3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
- IUPAC
- furan-2-yl-[3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
Names & synonyms
710985-97-0furan-2-yl(5-(furan-2-yl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)methanonefuran-2-yl[5-(furan-2-yl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]methanonefuran-2-yl-[3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanoneMLS001125352CHEMBL1370654DTXSID001326085HMS2975H06STL232108AKOS001153492AKOS016891081SMR000668670
Show more names
Z108564312(Furan-2-yl)[5-(furan-2-yl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Database identifiers
- CAS
710985-97-0- PubChem CID
- 2963372
- DTXSID
DTXSID001326085- ChEMBL
CHEMBL1370654
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 524
Experimental & physicochemical properties
Solubility2.3 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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