| CAS Number | 852816-12-7 |
| Catalog Number | AG00G69X(AGN-PC-0UZHRF) |
| Chemical Name | Ethyl 5-(4-methoxyphenyl)-1-methyl-1h-pyrazole-3-carboxylate |
| IUPAC Name | ethyl 5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxylate |
| InChI | InChI=1S/C14H16N2O3/c1-4-19-14(17)12-9-13(16(2)15-12)10-5-7-11(18-3)8-6-10/h5-9H,4H2,1-3H3 |
| InChI Key | XCVRBXLNJNCVMJ-UHFFFAOYSA-N |
| MDL Number | MFCD08446235 |
| Molecular Formula | C14H16N2O3 |
| Molecular Weight | 260.2884 |
| SMILES | CCOC(=O)c1nn(c(c1)c1ccc(cc1)OC)C |
| Synonyms | Ethyl 5-(4-methoxyphenyl)-1-methyl-1h-pyrazole-3-carboxylate,
852816-12-7,
SCHEMBL4694993,
ZINC97756630,
FT-0711976,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.293g/mol |
| Monoisotopic Mass | 260.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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