1.0 2016-06-03 12:50:36 UTC 2026-08-19 23:09:00 UTC N-[9-(dichloromethylidene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide SmallMolecule N-[9-(dichloromethylidene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide belongs to the tetralins, a class of benzenoids within the organic compounds. This compound has the chemical formula C18H15Cl2F2N3O and an average molecular weight of 398.23 g/mol. The substance has been found in or released from 19 recorded sources across multiple sectors. In the category of drinking water and water supply, it is present in tap water, bottled water, desalinated water, and drinking water. It occurs in aquatic systems and sediments, including freshwater, seawater, surface water, and groundwater. Within wastewater, sanitation, and biosolids, the compound is found in wastewater, unspecified wastewater, wastewater treatment effluent, and industrial wastewater, as well as mine wastewater. Additionally, it has been detected in appliances, HVAC, and refrigerants, specifically in water heaters and water coolers. In the marine, shipping, and aquaculture sector, it is found in bilge water and ballast water, while in agriculture and land management, it is present in irrigation water. Two more sectors have also recorded the presence of this compound. Recorded exposure routes for this chemical include oral, inhalation, and touch. PMT C18H15Cl2F2N3O 398.23 397.0560238 N-[11-(dichloromethylidene)tricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-3-yl]-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboximidic acid N-[11-(dichloromethylidene)tricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-3-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboximidic acid 1072957-71-1 CN1C=C(C(O)=NC2=CC=CC3=C2C2CCC3C2=C(Cl)Cl)C(=N1)C(F)F InChI=1S/C18H15Cl2F2N3O/c1-25-7-11(15(24-25)17(21)22)18(26)23-12-4-2-3-8-9-5-6-10(13(8)12)14(9)16(19)20/h2-4,7,9-10,17H,5-6H2,1H3,(H,23,26) CCCGEKHKTPTUHJ-UHFFFAOYSA-N Detected and Not Quantified logp 4 logp 4.63 ALOGPS logs -4.85 ALOGPS solubility 5.67e-03 g/l ALOGPS logp 4.58 ChemAxon pka_strongest_acidic 3.06 ChemAxon pka_strongest_basic 0.31 ChemAxon iupac N-[11-(dichloromethylidene)tricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-3-yl]-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboximidic acid ChemAxon average_mass 398.23 ChemAxon mono_mass 397.0560238 ChemAxon smiles CN1C=C(C(O)=NC2=CC=CC3=C2C2CCC3C2=C(Cl)Cl)C(=N1)C(F)F ChemAxon formula C18H15Cl2F2N3O ChemAxon inchi InChI=1S/C18H15Cl2F2N3O/c1-25-7-11(15(24-25)17(21)22)18(26)23-12-4-2-3-8-9-5-6-10(13(8)12)14(9)16(19)20/h2-4,7,9-10,17H,5-6H2,1H3,(H,23,26) ChemAxon inchikey CCCGEKHKTPTUHJ-UHFFFAOYSA-N ChemAxon polar_surface_area 50.41 ChemAxon refractivity 120.88 ChemAxon polarizability 37.47 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bae5ca468> 53491464 28945614