3-(dihexylamino)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(dihexylamino)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(dihexylamino)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(dihexylamino)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(dihexylamino)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(dihexylamino)-1H-pyrazole-5-carboxylic acid Formula: C16H29N3O2 MolecularWeight: 295.42036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=NNC(=C1)C(=O)O

Isomeric SMILES

CCCCCCN(CCCCCC)C1=NNC(=C1)C(=O)O

InChI

InChI=1S/C16H29N3O2/c1-3-5-7-9-11-19(12-10-8-6-4-2)15-13-14(16(20)21)17-18-15/h13H,3-12H2,1-2H3,(H,17,18)(H,20,21)