| CAS Number | 130775-79-0 |
| Catalog Number | AG00HS99(AGN-PC-0O0YYX) |
| Chemical Name | (R)-(5-Methyl-4,5-dihydro-1H-pyrazol-1-YL)(pyridin-3-YL)methanone |
| IUPAC Name | [(3R)-3-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone |
| InChI | InChI=1S/C10H11N3O/c1-8-4-6-12-13(8)10(14)9-3-2-5-11-7-9/h2-3,5-8H,4H2,1H3/t8-/m1/s1 |
| InChI Key | KKMMIKKVFRCZBO-MRVPVSSYSA-N |
| MDL Number | MFCD00893364 |
| Molecular Formula | C10H11N3O |
| Molecular Weight | 189.2138 |
| SMILES | C[C@@H]1CC=NN1C(=O)C1=CC=CN=C1 |
| Synonyms | 5-methyl-1-nicotinoyl-2-pyrazoline,
MS 153,
MS-153,
(R)-(5-METHYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL)(PYRIDIN-3-YL)METHANONE,
130775-79-0,
MS-153,
SCHEMBL179757,
ZINC3778055,
MFCD00893364,
AJ-45576,
AS-36173,
AX8266623,
(r)-(-)-5-methyl-1-nicotinoyl-2-pyrazoline,
X-3710,
CID10313453,
1-(3-Pyridylcarbonyl)-5-methyl-2-pyrazoline,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.218g/mol |
| Monoisotopic Mass | 189.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number