4-(3-azanylpropyl)-1-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-(3-azanylpropyl)-1-phenyl-pyrazole-3-carboxylic acid Openeye Name: 4-(3-aminopropyl)-1-phenyl-pyrazole-3-carboxylic acid CAS Name: 4-(3-aminopropyl)-1-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 4-(3-aminopropyl)-1-phenylpyrazole-3-carboxylic acid Traditional Name: 4-(3-aminopropyl)-1-phenyl-pyrazole-3-carboxylic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O2/c14-8-4-5-10-9-16(15-12(10)13(17)18)11-6-2-1-3-7-11/h1-3,6-7,9H,4-5,8,14H2,(H,17,18)