1-phenyl-3-pyridin-4-yl-pyrazole-4-carboxylic acid hydrate

Systemtic Name: 1-phenyl-3-pyridin-4-yl-pyrazole-4-carboxylic acid hydrate Openeye Name: 1-phenyl-3-(4-pyridyl)pyrazole-4-carboxylic acid hydrate CAS Name: 1-phenyl-3-pyridin-4-yl-4-pyrazolecarboxylic acid hydrate IUPAC Name: 1-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid hydrate Traditional Name: 1-phenyl-3-(4-pyridyl)pyrazole-4-carboxylic acid hydrate Formula: C15H13N3O3 MolecularWeight: 283.28202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)C(=O)O.O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)C(=O)O.O

InChI

InChI=1S/C15H11N3O2.H2O/c19-15(20)13-10-18(12-4-2-1-3-5-12)17-14(13)11-6-8-16-9-7-11;/h1-10H,(H,19,20);1H2