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Methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate
| Catalog Number | ACM1232838311 |
| CAS | 1232838-31-1 |
| Structure |  |
| IUPAC Name | methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate |
| Synonyms | methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate;1232838-31-1;methyl 4-bromo-3-methyl-1h-pyrazole-5-carboxylate;1H-pyrazole-3-carboxylic acid, 4-bromo-5-methyl-, methyl ester;SCHEMBL14857837;DTXSID90594721;ALBB-027681;ZINC8730180;ANW-53832;BBL011309;MFCD08056667;MFCD13704192;SBB081391;STK943201;AKOS000276425;AKOS005071103;MCULE-2153145437;NE42344;DA-32490;FT-0709542;EN300-54808;methyl 4-bromo-3-methylpyrazole-5-carboxylate;C-4346;7Z-0815;J-522320;Methyl 4-bromo-3-methyl-1H-pyrazole-5-carboxylate, AldrichCPR |
| Molecular Weight | 219.04g/mol |
| Molecular Formula | C6H7BrN2O2 |
| Canonical SMILES | CC1=C(C(=NN1)C(=O)OC)Br |
| InChI | InChI=1S/C6H7BrN2O2/c1-3-4(7)5(9-8-3)6(10)11-2/h1-2H3,(H,8,9) |
| InChI Key | QOTBTHHHTJJTRR-UHFFFAOYSA-N |
| Complexity | 165 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 217.96909g/mol |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Monoisotopic Mass | 217.96909g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55Ų |
| X Log P3 | 1.5 |
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