| CAS Number | 1624261-04-6 |
| Catalog Number | AG00HYR8(AGN-PC-0WCJUP) |
| Chemical Name | Ethyl 1-(5-(methylamino)pyridin-2-yl)-1H-pyrazole-4-carboxylate |
| IUPAC Name | ethyl 1-[5-(methylamino)pyridin-2-yl]pyrazole-4-carboxylate |
| InChI | InChI=1S/C12H14N4O2/c1-3-18-12(17)9-6-15-16(8-9)11-5-4-10(13-2)7-14-11/h4-8,13H,3H2,1-2H3 |
| InChI Key | WWTWYAWEHGONIL-UHFFFAOYSA-N |
| MDL Number | MFCD08703674 |
| Molecular Formula | C12H14N4O2 |
| Molecular Weight | 246.2652 |
| SMILES | O=C(C1=CN(C2=NC=C(NC)C=C2)N=C1)OCC |
| Synonyms | Ethyl 1-(5-(methylamino)pyridin-2-yl)-1H-pyrazole-4-carboxylate,
1624261-04-6,
MFCD26403991,
ZINC96028562,
AKOS024462420,
AK161593,
OR302179,
AJ-138298,
CS-0061585,
ethyl 1-(5-(methylamino)pyridin-2-yl)-1H-pyrazole-4-carboxylate, 95% - 1G 1g,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.27g/mol |
| Monoisotopic Mass | 246.112g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 69A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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