| CAS Number | 1249995-53-6 |
| Catalog Number | AG01AFWM |
| Chemical Name | 3-(1-ethyl-1H-pyrazol-4-yl)-1-methyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 3-(1-ethylpyrazol-4-yl)-1-methylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C10H12N4O2/c1-3-14-5-7(4-11-14)9-8(10(15)16)6-13(2)12-9/h4-6H,3H2,1-2H3,(H,15,16) |
| InChI Key | PCZWTTTUVMUXPV-UHFFFAOYSA-N |
| MDL Number | MFCD16109148 |
| Molecular Formula | C10H12N4O2 |
| Molecular Weight | 220.2279 |
| SMILES | CCN1N=CC(C2C(C(O)=O)=CN(C)N=2)=C1 |
| Synonyms | 3-(1-ethyl-1H-pyrazol-4-yl)-1-methyl-1H-pyrazole-4-carboxylic acid,
1249995-53-6,
1'-ethyl-1-methyl-1h,1'h-[3,4'-bipyrazole]-4-carboxylic acid,
ZINC44496271,
AKOS011066323,
MCULE-7187278798,
NE31094,
Z1815157398,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.232g/mol |
| Monoisotopic Mass | 220.096g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number