N-carbamimidoyl-5-cyclopropyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide hydrate hydrochloride

Systemtic Name: N-carbamimidoyl-5-cyclopropyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide hydrate hydrochloride Openeye Name: N-carbamimidoyl-5-cyclopropyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide hydrate hydrochloride CAS Name: N-carbamimidoyl-5-cyclopropyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide hydrate hydrochloride IUPAC Name: N-carbamimidoyl-5-cyclopropyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide hydrate hydrochloride Traditional Name: N-amidino-5-cyclopropyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide hydrate hydrochloride Formula: C15H17ClF3N5O2 MolecularWeight: 391.77599

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=NN2)C(=O)N(C3=CC=CC=C3C(F)(F)F)C(=N)N.O.Cl

Isomeric SMILES

C1CC1C2=C(C=NN2)C(=O)N(C3=CC=CC=C3C(F)(F)F)C(=N)N.O.Cl

InChI

InChI=1S/C15H14F3N5O.ClH.H2O/c16-15(17,18)10-3-1-2-4-11(10)23(14(19)20)13(24)9-7-21-22-12(9)8-5-6-8;;/h1-4,7-8H,5-6H2,(H3,19,20)(H,21,22);1H;1H2