| CAS Number | 67088-78-2 |
| Catalog Number | AG01DWL3(AGN-PC-0OFZ0R) |
| Chemical Name | 1-methyl-4-(1-methyl-1H-pyrazole-4-carbonyl)-1H-pyrazole |
| IUPAC Name | bis(1-methylpyrazol-4-yl)methanone |
| InChI | InChI=1S/C9H10N4O/c1-12-5-7(3-10-12)9(14)8-4-11-13(2)6-8/h3-6H,1-2H3 |
| InChI Key | LYIITWGLXIRESF-UHFFFAOYSA-N |
| MDL Number | MFCD21131667 |
| Molecular Formula | C9H10N4O |
| Molecular Weight | 190.2019 |
| SMILES | O=C(C1=CN(C)N=C1)C2=CN(C)N=C2 |
| Synonyms | 67088-78-2,
1-methyl-4-(1-methyl-1H-pyrazole-4-carbonyl)-1H-pyrazole,
bis(1-methyl-1H-pyrazol-4-yl)methanone,
ZINC83571746,
AKOS014529168,
DA-04450,
FT-0724133,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.206g/mol |
| Monoisotopic Mass | 190.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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