Chemical Name - 4-Bromo-1-methylpyrazole
Mol Weight - 161.002
Smiles - Cn1ncc(Br)c1
Mol Weight - 161.002
Smiles - Cn1ncc(Br)c1
| Property Value | |
| Mol Name | 4-Bromo-1-methylpyrazole |
| Molweight | 161.002 |
| Monoisotopic Mass | 159.963609 |
| Clogp | 0.4471 |
| Clogs | -1.217 |
| H Acceptors | 2 |
| Total Surface Area | 92.11 |
| Relative Psa | 0.19368 |
| Polar Surface Area | 17.82 |
| Druglikeness | -1.8253 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.71429 |
| Molecular Complexity | 0.7993 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 1 |
| Aromatic Nitrogens | 2 |
| Smiles | Cn1ncc(Br)c1 |
| InChIKey | InChI=1S/C4H5BrN2/c1-7-3-4(5)2-6-7/h2-3H,1H3 |
| InChI | IXJSDKIJPVSPKF-UHFFFAOYSA-N |
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1 - 4-Bromo-1-methylpyrazole
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1 - 4-Bromo-1-methylpyrazole
2 - 4-Bromo-1-methylpyrazole
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