1-[[4-[bis(fluoranyl)methyl]-6-cyclopropyl-pyrimidin-2-yl]oxymethyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[[4-[bis(fluoranyl)methyl]-6-cyclopropyl-pyrimidin-2-yl]oxymethyl]pyrazole-3-carboxylic acid Openeye Name: 1-[[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]oxymethyl]pyrazole-3-carboxylic acid CAS Name: 1-[[4-cyclopropyl-6-(difluoromethyl)-2-pyrimidinyl]oxymethyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]oxymethyl]pyrazole-3-carboxylic acid Traditional Name: 1-[[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]oxymethyl]pyrazole-3-carboxylic acid Formula: C13H12F2N4O3 MolecularWeight: 310.256186

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NC(=N2)OCN3C=CC(=N3)C(=O)O)C(F)F

Isomeric SMILES

C1CC1C2=CC(=NC(=N2)OCN3C=CC(=N3)C(=O)O)C(F)F

InChI

InChI=1S/C13H12F2N4O3/c14-11(15)10-5-9(7-1-2-7)16-13(17-10)22-6-19-4-3-8(18-19)12(20)21/h3-5,7,11H,1-2,6H2,(H,20,21)