3-butyl-5-(hydroxymethyl)-1H-pyrazole-4-carboxylic acid

Systemtic Name: 3-butyl-5-(hydroxymethyl)-1H-pyrazole-4-carboxylic acid Openeye Name: 3-butyl-5-(hydroxymethyl)-1H-pyrazole-4-carboxylic acid CAS Name: 3-butyl-5-(hydroxymethyl)-1H-pyrazole-4-carboxylic acid IUPAC Name: 3-butyl-5-(hydroxymethyl)-1H-pyrazole-4-carboxylic acid Traditional Name: 3-butyl-5-methylol-1H-pyrazole-4-carboxylic acid Formula: C9H14N2O3 MolecularWeight: 198.21906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC(=C1C(=O)O)CO

Isomeric SMILES

CCCCC1=NNC(=C1C(=O)O)CO

InChI

InChI=1S/C9H14N2O3/c1-2-3-4-6-8(9(13)14)7(5-12)11-10-6/h12H,2-5H2,1H3,(H,10,11)(H,13,14)