C168H239FN34O — CID 158505683
bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine (PubChem CID 158505683) has the molecular formula C168H239FN34O and a molecular weight of 2769.99 g/mol. Its IUPAC name is bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine.
| Compound Name | bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine |
|---|---|
| PubChem CID | 158505683 |
| Molecular Formula | C168H239FN34O |
| Molecular Weight | 2769.99 g/mol |
| Exact Mass | 2767.97 |
| IUPAC Name | bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;5-methyl-1-phenyl-4-propan-2-ylpyrazole;hexakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;2-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine |
| SMILES | CC(C)c1ccco1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CC2)c1.CC(C)c1cnn(CC2(F)CCCC2)c1.CC(C)c1cnn(CC2CC2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1cnn(Cc2cccnc2)c1.Cc1c(C(C)C)cnn1-c1ccccc1.Cc1ccc(-n2cc(C(C)C)cn2)cc1 |
| InChI | InChI=1S/4C13H16N2.C12H19FN2.2C12H15N3.C12H14N2.C10H16N2.C9H14N2.6C7H12N2.C7H10O/c1-10(2)12-8-14-15(9-12)13-6-4-11(3)5-7-13;1-10(2)13-9-14-15(11(13)3)12-7-5-4-6-8-12;2*1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-10(2)11-7-14-15(8-11)9-12(13)5-3-4-6-12;1-10(2)12-7-14-15(9-12)8-11-4-3-5-13-6-11;1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-7(2)8-5-10-11(6-8)9-3-4-9;6*1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-3-5-8-7/h2*4-10H,1-3H3;2*3-8,10-11H,9H2,1-2H3;7-8,10H,3-6,9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-8,10H,9H2,1-2H3;3-10H,1-2H3;5,7-9H,3-4,6H2,1-2H3;5-7,9H,3-4H2,1-2H3;6*4-6H,1-3H3;3-6H,1-2H3 |
| InChIKey | HKKZGWYJSVZOKF-UHFFFAOYSA-N |
| XLogP | 40.32 |
| TPSA | 324.04 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 204 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2769.99 |
| LogP ≤ 5 | 40.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 35 |