4-chloranyl-3-(4-iodophenyl)-1-methyl-pyrazole; N-ethyl-1H-pyrazole-5-carboxamide

Systemtic Name: 4-chloranyl-3-(4-iodophenyl)-1-methyl-pyrazole; N-ethyl-1H-pyrazole-5-carboxamide Openeye Name: 4-chloro-3-(4-iodophenyl)-1-methyl-pyrazole; N-ethyl-1H-pyrazole-5-carboxamide CAS Name: 4-chloro-3-(4-iodophenyl)-1-methylpyrazole; N-ethyl-1H-pyrazole-5-carboxamide IUPAC Name: 4-chloro-3-(4-iodophenyl)-1-methylpyrazole; N-ethyl-1H-pyrazole-5-carboxamide Traditional Name: 4-chloro-3-(4-iodophenyl)-1-methyl-pyrazole; N-ethyl-1H-pyrazole-5-carboxamide Formula: C16H17ClIN5O MolecularWeight: 457.69655

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC=NN1.CN1C=C(C(=N1)C2=CC=C(C=C2)I)Cl

Isomeric SMILES

CCNC(=O)C1=CC=NN1.CN1C=C(C(=N1)C2=CC=C(C=C2)I)Cl

InChI

InChI=1S/C10H8ClIN2.C6H9N3O/c1-14-6-9(11)10(13-14)7-2-4-8(12)5-3-7;1-2-7-6(10)5-3-4-8-9-5/h2-6H,1H3;3-4H,2H2,1H3,(H,7,10)(H,8,9)