| CAS Number | 900137-38-4 |
| Catalog Number | AG019K3Q |
| Chemical Name | 3-{3-Cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl}propanoic acid |
| IUPAC Name | 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid |
| InChI | InChI=1S/C12H12N4O2/c1-7-10(3-4-11(17)18)8(2)16-12(15-7)9(5-13)6-14-16/h6H,3-4H2,1-2H3,(H,17,18) |
| InChI Key | AOFBMCIQKCEFFI-UHFFFAOYSA-N |
| MDL Number | MFCD08166736 |
| Molecular Formula | C12H12N4O2 |
| Molecular Weight | 244.2493 |
| SMILES | CC1C(CCC(O)=O)=C(C)N2C(=C(C=N2)C#N)N=1 |
| Synonyms | 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid,
EN300-25414,
900137-38-4,
3-{3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl}propanoic acid,
AC1Q2P9G,
CTK7C9116,
SBB042746,
STL451465,
ZINC17043850,
AKOS000199632,
MCULE-1102479132,
NE13773,
SEL10402563,
3-(3-cyano-5,7-dimethyl-8-hydropyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid,
|
| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.254g/mol |
| Monoisotopic Mass | 244.096g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number