1-Butylisochromeno[3,4-C]pyrazol-5(3h)-One
AlkaPlorer ID: AK000458
Synonym: None
IUPAC Name: 1-butyl-2H-isochromeno[3,4-c]pyrazol-5-one
Structure
SMILES: CCCCC1=C2C3=CC=CC=C3C(=O)OC2=NN1
InChI: InChI=1S/C14H14N2O2/c1-2-3-8-11-12-9-6-4-5-7-10(9)14(17)18-13(12)16-15-11/h4-7H,2-3,8H2,1H3,(H,15,16)
InChIKey: YKYPXFBQABKRKC-UHFFFAOYSA-N
Reference
Research Progress of Natural Matrine Compounds and Synthetic Matrine Derivatives
PubChem CID: 122174233
Source
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Properties Information
Molecule Weight: 242.278
TPSA?: 58.89
MolLogP?: 3.0119000000000007
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
