About 5-[(3,4-difluorophenyl)methylcarbamoyl]-2-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-2,5,7-tricarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-[[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid
5-[(3,4-difluorophenyl)methylcarbamoyl]-2-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-2,5,7-tricarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-[[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid (PubChem CID 158437562) has the molecular formula C124H110F8N34O33
and a molecular weight of 2756.43 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)methylcarbamoyl]-2-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-2,5,7-tricarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-[[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of 5-[(3,4-difluorophenyl)methylcarbamoyl]-2-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-2,5,7-tricarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-[[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-[(3,4-difluorophenyl)methylcarbamoyl]-2-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-2,5,7-tricarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-[[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid (CID 158437562) is 5-[(3,4-difluorophenyl)methylcarbamoyl]-2-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-2,5,7-tricarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-[[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[(3,4-difluorophenyl)methylcarbamoyl]-2-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-2,5,7-tricarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-[[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-[(3,4-difluorophenyl)methylcarbamoyl]-2-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-2,5,7-tricarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-[[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid is COC(=O)c1cc(C)n2nc(C(=O)OC)cc2n1.COC(=O)c1cc(N)n[nH]1.COC(=O)c1cc([N+](=O)[O-])[nH]n1.COC(=O)c1cc2nc(C(=O)NCc3ccc(F)c(F)c3)cc(C(=O)N[C@H]3CCc4c3ccc(C)c4C)n2n1.COC(=O)c1cc2nc(C(=O)NCc3ccc(F)c(F)c3)cc(C(=O)O)n2n1.COC(=O)c1cc2nc(C(=O)NCc3ccc(F)c(F)c3)cc(C)n2n1.COC(=O)c1cc2nc(C(=O)O)cc(C)n2n1.Cc1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)nc2cc(C(N)=O)nn12.O=C(O)c1cc([N+](=O)[O-])[nH]n1.
What is the InChIKey of 5-[(3,4-difluorophenyl)methylcarbamoyl]-2-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-2,5,7-tricarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-[[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid?
The InChIKey is HCKOPLQTKOLNMM-MMBNJHIPSA-N. The full InChI is InChI=1S/C28H25F2N5O4.C27H24F2N6O3.C17H12F2N4O5.C17H14F2N4O3.C11H11N3O4.C10H9N3O4.C5H5N3O4.C5H7N3O2.C4H3N3O4/c1-14-4-6-18-17(15(14)2)7-9-21(18)33-27(37)24-11-22(32-25-12-23(28(38)39-3)34-35(24)25)26(36)31-13-16-5-8-19(29)20(30)10-16;1-13-3-5-17-16(14(13)2)6-8-20(17)33-27(38)23-10-22(32-24-11-21(25(30)36)34-35(23)24)26(37)31-12-15-4-7-18(28)19(29)9-15;1-28-17(27)12-6-14-21-11(5-13(16(25)26)23(14)22-12)15(24)20-7-8-2-3-9(18)10(19)4-8;1-9-5-13(21-15-7-14(17(25)26-2)22-23(9)15)16(24)20-8-10-3-4-11(18)12(19)6-10;1-6-4-7(10(15)17-2)12-9-5-8(11(16)18-3)13-14(6)9;1-5-3-6(9(14)15)11-8-4-7(10(16)17-2)12-13(5)8;1-12-5(9)3-2-4(7-6-3)8(10)11;1-10-5(9)3-2-4(6)8-7-3;8-4(9)2-1-3(6-5-2)7(10)11/h4-6,8,10-12,21H,7,9,13H2,1-3H3,(H,31,36)(H,33,37);3-5,7,9-11,20H,6,8,12H2,1-2H3,(H2,30,36)(H,31,37)(H,33,38);2-6H,7H2,1H3,(H,20,24)(H,25,26);3-7H,8H2,1-2H3,(H,20,24);4-5H,1-3H3;3-4H,1-2H3,(H,14,15);2H,1H3,(H,6,7);2H,1H3,(H3,6,7,8);1H,(H,5,6)(H,8,9)/t21-;20-;;;;;;;/m00......./s1.
What are the key properties of 5-[(3,4-difluorophenyl)methylcarbamoyl]-2-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-2,5,7-tricarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-[[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid?
5-[(3,4-difluorophenyl)methylcarbamoyl]-2-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-2,5,7-tricarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-[[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid has a molecular weight of 2756.43 g/mol, XLogP of 11.32, 30 rotatable bonds, 14 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)methylcarbamoyl]-2-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-2,5,7-tricarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-[[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 158437562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).