5-(1-phenylpyrazol-4-yl)pentanoic acid

Systemtic Name: 5-(1-phenylpyrazol-4-yl)pentanoic acid Openeye Name: 5-(1-phenylpyrazol-4-yl)pentanoic acid CAS Name: 5-(1-phenyl-4-pyrazolyl)pentanoic acid IUPAC Name: 5-(1-phenylpyrazol-4-yl)pentanoic acid Traditional Name: 5-(1-phenylpyrazol-4-yl)valeric acid Formula: C14H16N2O2 MolecularWeight: 244.28904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCCCC(=O)O

InChI

InChI=1S/C14H16N2O2/c17-14(18)9-5-4-6-12-10-15-16(11-12)13-7-2-1-3-8-13/h1-3,7-8,10-11H,4-6,9H2,(H,17,18)