1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;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;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide
C179H259F18N41O12S2 — CID 158961212
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;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;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide
SMILESCC(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)nn1CC1CC1.CC(C)c1cc(C(F)(F)F)nn1CC1COC1.CC(C)c1cc(C(F)(F)F)nn1CCS(C)(=O)=O.CC(C)c1cc(N2CCOCC2)nn1C.CC(C)c1cnc(N(C)C(=O)C(C)(C)C)nc1.CC(C)c1cnc(N(C)C(=O)C2CC2)nc1.CC(C)c1cnc(N(C)C(=O)C2CCOCC2)nc1.CCc1ncc(C(C)C)c(C)n1.CCn1nc(C(F)(F)F)cc1C(C)C.CNc1ncc(C(C)C)cn1.Cc1cc(C(=O)N(C)c2ncc(C(C)C)cn2)n(C)n1.Cc1nc(N(C)C(=O)C2CC2)ncc1C(C)C.Cc1nc(OC2CC2)ncc1C(C)C
InChIInChI=1S/C14H19N5O.C14H21N3O2.C13H19N3O.C13H21N3O.C12H17N3O.C11H15F3N2O.C11H13F3N2O.C11H15F3N2.C11H19N3O.C11H16N2O.C11H14N2S.C10H15F3N2O2S.C10H13F3N2.C10H16N2.C9H13F3N2.C8H13N3/c1-9(2)11-7-15-14(16-8-11)18(4)13(20)12-6-10(3)17-19(12)5;1-10(2)12-8-15-14(16-9-12)17(3)13(18)11-4-6-19-7-5-11;1-8(2)11-7-14-13(15-9(11)3)16(4)12(17)10-5-6-10;1-9(2)10-7-14-12(15-8-10)16(6)11(17)13(3,4)5;1-8(2)10-6-13-12(14-7-10)15(3)11(16)9-4-5-9;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;1-7(2)10-6-12-11(13-8(10)3)14-9-4-5-9;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;1-5-10-11-6-9(7(2)3)8(4)12-10;1-4-14-7(6(2)3)5-8(13-14)9(10,11)12;1-6(2)7-4-10-8(9-3)11-5-7/h6-9H,1-5H3;8-11H,4-7H2,1-3H3;7-8,10H,5-6H2,1-4H3;7-9H,1-6H3;6-9H,4-5H2,1-3H3;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;6-7,9H,4-5H2,1-3H3;4-8H,1-3H3;6-7H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3;6-7H,5H2,1-4H3;5-6H,4H2,1-3H3;4-6H,1-3H3,(H,9,10,11)
InChIKeyJMQMHGMBWFIHDZ-UHFFFAOYSA-N
MW3583.41 g/mol
LogP39.64
Rot. Bonds41
About 1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;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;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide
1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;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;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide (PubChem CID 158961212) has the molecular formula C179H259F18N41O12S2 and a molecular weight of 3583.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;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;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide.
Molecular Properties
| Compound Name | 1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;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;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide |
|---|---|
| PubChem CID | 158961212 |
| Molecular Formula | C179H259F18N41O12S2 |
| Molecular Weight | 3583.41 g/mol |
| Exact Mass | 3581.01 |
| IUPAC Name | 1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;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;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide |
| 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)nn1CC1CC1.CC(C)c1cc(C(F)(F)F)nn1CC1COC1.CC(C)c1cc(C(F)(F)F)nn1CCS(C)(=O)=O.CC(C)c1cc(N2CCOCC2)nn1C.CC(C)c1cnc(N(C)C(=O)C(C)(C)C)nc1.CC(C)c1cnc(N(C)C(=O)C2CC2)nc1.CC(C)c1cnc(N(C)C(=O)C2CCOCC2)nc1.CCc1ncc(C(C)C)c(C)n1.CCn1nc(C(F)(F)F)cc1C(C)C.CNc1ncc(C(C)C)cn1.Cc1cc(C(=O)N(C)c2ncc(C(C)C)cn2)n(C)n1.Cc1nc(N(C)C(=O)C2CC2)ncc1C(C)C.Cc1nc(OC2CC2)ncc1C(C)C |
| InChI | InChI=1S/C14H19N5O.C14H21N3O2.C13H19N3O.C13H21N3O.C12H17N3O.C11H15F3N2O.C11H13F3N2O.C11H15F3N2.C11H19N3O.C11H16N2O.C11H14N2S.C10H15F3N2O2S.C10H13F3N2.C10H16N2.C9H13F3N2.C8H13N3/c1-9(2)11-7-15-14(16-8-11)18(4)13(20)12-6-10(3)17-19(12)5;1-10(2)12-8-15-14(16-9-12)17(3)13(18)11-4-6-19-7-5-11;1-8(2)11-7-14-13(15-9(11)3)16(4)12(17)10-5-6-10;1-9(2)10-7-14-12(15-8-10)16(6)11(17)13(3,4)5;1-8(2)10-6-13-12(14-7-10)15(3)11(16)9-4-5-9;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;1-7(2)10-6-12-11(13-8(10)3)14-9-4-5-9;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;1-5-10-11-6-9(7(2)3)8(4)12-10;1-4-14-7(6(2)3)5-8(13-14)9(10,11)12;1-6(2)7-4-10-8(9-3)11-5-7/h6-9H,1-5H3;8-11H,4-7H2,1-3H3;7-8,10H,5-6H2,1-4H3;7-9H,1-6H3;6-9H,4-5H2,1-3H3;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;6-7,9H,4-5H2,1-3H3;4-8H,1-3H3;6-7H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3;6-7H,5H2,1-4H3;5-6H,4H2,1-3H3;4-6H,1-3H3,(H,9,10,11) |
| InChIKey | JMQMHGMBWFIHDZ-UHFFFAOYSA-N |
| XLogP | 39.64 |
| TPSA | 571.57 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 49 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 252 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3583.41 |
| LogP ≤ 5 | 39.64 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 49 |
Frequently Asked Questions
What is the IUPAC name of 1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;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;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;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;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide (CID 158961212) is 1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;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;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;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;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;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;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide is 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)nn1CC1CC1.CC(C)c1cc(C(F)(F)F)nn1CC1COC1.CC(C)c1cc(C(F)(F)F)nn1CCS(C)(=O)=O.CC(C)c1cc(N2CCOCC2)nn1C.CC(C)c1cnc(N(C)C(=O)C(C)(C)C)nc1.CC(C)c1cnc(N(C)C(=O)C2CC2)nc1.CC(C)c1cnc(N(C)C(=O)C2CCOCC2)nc1.CCc1ncc(C(C)C)c(C)n1.CCn1nc(C(F)(F)F)cc1C(C)C.CNc1ncc(C(C)C)cn1.Cc1cc(C(=O)N(C)c2ncc(C(C)C)cn2)n(C)n1.Cc1nc(N(C)C(=O)C2CC2)ncc1C(C)C.Cc1nc(OC2CC2)ncc1C(C)C.
What is the InChIKey of 1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;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;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide?
The InChIKey is JMQMHGMBWFIHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.C14H21N3O2.C13H19N3O.C13H21N3O.C12H17N3O.C11H15F3N2O.C11H13F3N2O.C11H15F3N2.C11H19N3O.C11H16N2O.C11H14N2S.C10H15F3N2O2S.C10H13F3N2.C10H16N2.C9H13F3N2.C8H13N3/c1-9(2)11-7-15-14(16-8-11)18(4)13(20)12-6-10(3)17-19(12)5;1-10(2)12-8-15-14(16-9-12)17(3)13(18)11-4-6-19-7-5-11;1-8(2)11-7-14-13(15-9(11)3)16(4)12(17)10-5-6-10;1-9(2)10-7-14-12(15-8-10)16(6)11(17)13(3,4)5;1-8(2)10-6-13-12(14-7-10)15(3)11(16)9-4-5-9;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;1-7(2)10-6-12-11(13-8(10)3)14-9-4-5-9;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;1-5-10-11-6-9(7(2)3)8(4)12-10;1-4-14-7(6(2)3)5-8(13-14)9(10,11)12;1-6(2)7-4-10-8(9-3)11-5-7/h6-9H,1-5H3;8-11H,4-7H2,1-3H3;7-8,10H,5-6H2,1-4H3;7-9H,1-6H3;6-9H,4-5H2,1-3H3;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;6-7,9H,4-5H2,1-3H3;4-8H,1-3H3;6-7H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3;6-7H,5H2,1-4H3;5-6H,4H2,1-3H3;4-6H,1-3H3,(H,9,10,11).
What are the key properties of 1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;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;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide?
1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;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;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide has a molecular weight of 3583.41 g/mol, XLogP of 39.64, 41 rotatable bonds, 1 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;cyclopropyl-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]methanone;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;1-ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;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;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 158961212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158961212 — identifiers, structure, computed properties (public domain)
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