2-(4-methyl-3-phenyl-pyrazol-1-yl)ethanoic acid; propane

Systemtic Name: 2-(4-methyl-3-phenyl-pyrazol-1-yl)ethanoic acid; propane Openeye Name: 2-(4-methyl-3-phenyl-pyrazol-1-yl)acetic acid; propane CAS Name: 2-(4-methyl-3-phenyl-1-pyrazolyl)acetic acid; propane IUPAC Name: 2-(4-methyl-3-phenylpyrazol-1-yl)acetic acid; propane Traditional Name: 2-(4-methyl-3-phenyl-pyrazol-1-yl)acetic acid; n-propane Formula: C15H20N2O2 MolecularWeight: 260.3315

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Descriptors Computed from Structure

Canonical SMILES:

CCC.CC1=CN(N=C1C2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CCC.CC1=CN(N=C1C2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C12H12N2O2.C3H8/c1-9-7-14(8-11(15)16)13-12(9)10-5-3-2-4-6-10;1-3-2/h2-7H,8H2,1H3,(H,15,16);3H2,1-2H3