C165H217F28N35O12S3 — CID 159961083
1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;N,N-dimethyl-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methylsulfonyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(2-oxo-1,3-dihydroindol-4-yl)-5-propan-2-ylpyridine-4-carbonitrile;2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 159961083) has the molecular formula C165H217F28N35O12S3 and a molecular weight of 3510.93 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;N,N-dimethyl-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methylsulfonyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(2-oxo-1,3-dihydroindol-4-yl)-5-propan-2-ylpyridine-4-carbonitrile;2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanol.
| Compound Name | 1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;N,N-dimethyl-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methylsulfonyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(2-oxo-1,3-dihydroindol-4-yl)-5-propan-2-ylpyridine-4-carbonitrile;2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanol |
|---|---|
| PubChem CID | 159961083 |
| Molecular Formula | C165H217F28N35O12S3 |
| Molecular Weight | 3510.93 g/mol |
| Exact Mass | 3508.62 |
| IUPAC Name | 1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;N,N-dimethyl-2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]acetamide;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methylsulfonyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-(2-oxo-1,3-dihydroindol-4-yl)-5-propan-2-ylpyridine-4-carbonitrile;2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanol |
| SMILES | CC(C)c1cc(-c2cccs2)nn1C.CC(C)c1cc(C(F)(F)F)nn1C(=O)C1CC1.CC(C)c1cc(C(F)(F)F)nn1C1CC1.CC(C)c1cc(C(F)(F)F)nn1CC(=O)N(C)C.CC(C)c1cc(C(F)(F)F)nn1CC1CC1.CC(C)c1cc(C(F)(F)F)nn1CC1COC1.CC(C)c1cc(C(F)(F)F)nn1CCO.CC(C)c1cc(C(F)(F)F)nn1CCS(C)(=O)=O.CC(C)c1cc(C(F)(F)F)nn1S(C)(=O)=O.CC(C)c1cc(N2CCOCC2)nn1C.CC(C)c1cnc(-c2cccc3c2CC(=O)N3)cc1C#N.CC(C)c1cnc(N(C)C(=O)C2CC2)nc1.CC(C)c1ncc(-c2cccc3c2CC(=O)N3)cc1F.CCn1nc(C(F)(F)F)cc1C(C)C.CNc1ncc(C(C)C)cn1 |
| InChI | InChI=1S/C17H15N3O.C16H15FN2O.C12H17N3O.C11H16F3N3O.C11H15F3N2O.C11H13F3N2O.C11H15F3N2.C11H19N3O.C11H14N2S.C10H15F3N2O2S.C10H13F3N2.C9H13F3N2O.C9H13F3N2.C8H11F3N2O2S.C8H13N3/c1-10(2)14-9-19-16(6-11(14)8-18)12-4-3-5-15-13(12)7-17(21)20-15;1-9(2)16-13(17)6-10(8-18-16)11-4-3-5-14-12(11)7-15(20)19-14;1-8(2)10-6-13-12(14-7-10)15(3)11(16)9-4-5-9;1-7(2)8-5-9(11(12,13)14)15-17(8)6-10(18)16(3)4;1-7(2)9-3-10(11(12,13)14)15-16(9)4-8-5-17-6-8;1-6(2)8-5-9(11(12,13)14)15-16(8)10(17)7-3-4-7;1-7(2)9-5-10(11(12,13)14)15-16(9)6-8-3-4-8;1-9(2)10-8-11(12-13(10)3)14-4-6-15-7-5-14;1-8(2)10-7-9(12-13(10)3)11-5-4-6-14-11;1-7(2)8-6-9(10(11,12)13)14-15(8)4-5-18(3,16)17;1-6(2)8-5-9(10(11,12)13)14-15(8)7-3-4-7;1-6(2)7-5-8(9(10,11)12)13-14(7)3-4-15;1-4-14-7(6(2)3)5-8(13-14)9(10,11)12;1-5(2)6-4-7(8(9,10)11)12-13(6)16(3,14)15;1-6(2)7-4-10-8(9-3)11-5-7/h3-6,9-10H,7H2,1-2H3,(H,20,21);3-6,8-9H,7H2,1-2H3,(H,19,20);6-9H,4-5H2,1-3H3;5,7H,6H2,1-4H3;3,7-8H,4-6H2,1-2H3;5-7H,3-4H2,1-2H3;5,7-8H,3-4,6H2,1-2H3;8-9H,4-7H2,1-3H3;4-8H,1-3H3;6-7H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3;5-6,15H,3-4H2,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3;4-6H,1-3H3,(H,9,10,11) |
| InChIKey | ODILLGKKWNVBHA-UHFFFAOYSA-N |
| XLogP | 38.63 |
| TPSA | 535.28 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 243 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3510.93 |
| LogP ≤ 5 | 38.63 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 44 |