| CAS Number | 1781423-38-8 |
| Catalog Number | AG01F9X1(AGN-PC-3H49DL) |
| Chemical Name | 2,5-Dimethyl-3-phenylpyrazolo-[1,5-a]pyrimidine |
| IUPAC Name | 2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine |
| InChI | InChI=1S/C14H13N3/c1-10-8-9-17-14(15-10)13(11(2)16-17)12-6-4-3-5-7-12/h3-9H,1-2H3 |
| InChI Key | GPQGKQRRJHXWCQ-UHFFFAOYSA-N |
| MDL Number | MFCD27978267 |
| Molecular Formula | C14H13N3 |
| Molecular Weight | 223.2731 |
| SMILES | C1=CN2C(=C(C3C=CC=CC=3)C(C)=N2)N=C1C |
| Synonyms | 1781423-38-8,
2,5-Dimethyl-3-phenylpyrazolo-[1,5-a]pyrimidine,
2,5-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine,
ZINC98042885,
2,5-Dimethyl-3-phenylpyrazolo-[1,5-a]pyrimidine, AldrichCPR,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.279g/mol |
| Monoisotopic Mass | 223.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number