| CAS Number | 189018-16-4 |
| Catalog Number | AG01F74R(AGN-PC-0O5VZZ) |
| Chemical Name | 5-(CHLOROMETHYL)-2-PHENYLPYRAZOLO[1,5-A]PYRIMIDIN-7-OL |
| IUPAC Name | 5-(chloromethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one |
| InChI | InChI=1S/C13H10ClN3O/c14-8-10-6-13(18)17-12(15-10)7-11(16-17)9-4-2-1-3-5-9/h1-7,16H,8H2 |
| InChI Key | MTDYJDLNFSRZKM-UHFFFAOYSA-N |
| MDL Number | MFCD27978265 |
| Molecular Formula | C13H10ClN3O |
| Molecular Weight | 259.6910 |
| SMILES | ClCC1=NC2=CC(=NN2C(O)=C1)C=3C=CC=CC3 |
| Synonyms | 948239-15-4,
5-(CHLOROMETHYL)-2-PHENYLPYRAZOLO[1,5-A]PYRIMIDIN-7(4H)-ONE,
189018-16-4,
5-Chloromethyl-7-hydroxy-2-phenylpyrazolo[1,5-a]pyrimidine,
5-(Chloromethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-ol,
SCHEMBL7892524,
SCHEMBL12290398,
DTXSID60589886,
ZINC9260976,
MFCD18711510,
5-(Chloromethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7(1H)-one,
5-Chloromethyl-7-hydroxy-2-phenylpyrazolo[1,5-a]-pyrimidine, AldrichCPR,
|
| Complexity | 461 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.693g/mol |
| Monoisotopic Mass | 259.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number