C92H153F4N19O3 — CID 158544290
4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;methane (PubChem CID 158544290) has the molecular formula C92H153F4N19O3 and a molecular weight of 1649.36 g/mol. Its IUPAC name is 4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;methane.
| Compound Name | 4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;methane |
|---|---|
| PubChem CID | 158544290 |
| Molecular Formula | C92H153F4N19O3 |
| Molecular Weight | 1649.36 g/mol |
| Exact Mass | 1648.23 |
| IUPAC Name | 4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;methane |
| SMILES | C.CC(C)(C)c1cnn(-c2ccncc2)c1.CC(C)(C)c1cnn(C(F)F)c1.CC(C)(C)c1cnn(C2CCC(F)(F)CC2)c1.CC(C)(C)c1cnn(C2CCOCC2)c1.CC(C)(C)c1cnn(CCN2CCOCC2)c1.CC(C)(O)Cn1cc(C(C)(C)C)cn1.CCn1cc(C(C)(C)C)cn1.CN1CCC(n2cc(C(C)(C)C)cn2)CC1 |
| InChI | InChI=1S/C13H20F2N2.C13H23N3O.C13H23N3.C12H15N3.C12H20N2O.C11H20N2O.C9H16N2.C8H12F2N2.CH4/c1-12(2,3)10-8-16-17(9-10)11-4-6-13(14,15)7-5-11;1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-13(2,3)11-9-14-16(10-11)12-5-7-15(4)8-6-12;1-12(2,3)10-8-14-15(9-10)11-4-6-13-7-5-11;1-12(2,3)10-8-13-14(9-10)11-4-6-15-7-5-11;1-10(2,3)9-6-12-13(7-9)8-11(4,5)14;1-5-11-7-8(6-10-11)9(2,3)4;1-8(2,3)6-4-11-12(5-6)7(9)10;/h8-9,11H,4-7H2,1-3H3;10-11H,4-9H2,1-3H3;9-10,12H,5-8H2,1-4H3;4-9H,1-3H3;8-9,11H,4-7H2,1-3H3;6-7,14H,8H2,1-5H3;6-7H,5H2,1-4H3;4-5,7H,1-3H3;1H4 |
| InChIKey | HOXHYKYQXHBOQS-UHFFFAOYSA-N |
| XLogP | 20.35 |
| TPSA | 200.62 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 118 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1649.36 |
| LogP ≤ 5 | 20.35 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 22 |