| CAS Number | 1700336-62-4 |
| Catalog Number | AG01DYUG |
| Chemical Name | 1-methyl-3-(1-methyl-1H-pyrazol-5-yl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-methyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C9H10N4O2/c1-12-5-6(9(14)15)8(11-12)7-3-4-10-13(7)2/h3-5H,1-2H3,(H,14,15) |
| InChI Key | LNNUNHURCXUPDP-UHFFFAOYSA-N |
| MDL Number | MFCD30242058 |
| Molecular Formula | C9H10N4O2 |
| Molecular Weight | 206.2013 |
| SMILES | CN1N=C(C2N(C)N=CC=2)C(C(O)=O)=C1 |
| Synonyms | 1-methyl-3-(1-methyl-1H-pyrazol-5-yl)-1H-pyrazole-4-carboxylic acid,
1700336-62-4,
AKOS034181417,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.205g/mol |
| Monoisotopic Mass | 206.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number