1-(4-chlorophenyl)-3,5-dimethyl-pyrazol-4-amine hydrate

Systemtic Name: 1-(4-chlorophenyl)-3,5-dimethyl-pyrazol-4-amine hydrate Openeye Name: 1-(4-chlorophenyl)-3,5-dimethyl-pyrazol-4-amine hydrate CAS Name: 1-(4-chlorophenyl)-3,5-dimethyl-4-pyrazolamine hydrate IUPAC Name: 1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-amine hydrate Traditional Name: [1-(4-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]amine hydrate Formula: C11H14ClN3O MolecularWeight: 239.70136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)Cl)C)N.O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)Cl)C)N.O

InChI

InChI=1S/C11H12ClN3.H2O/c1-7-11(13)8(2)15(14-7)10-5-3-9(12)4-6-10;/h3-6H,13H2,1-2H3;1H2