| CAS Number | 189018-17-5 |
| Catalog Number | AG01F6JP(AGN-PC-0O5W02) |
| Chemical Name | 6-Chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-ol |
| IUPAC Name | 6-chloro-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one |
| InChI | InChI=1S/C13H10ClN3O/c1-8-12(14)13(18)17-11(15-8)7-10(16-17)9-5-3-2-4-6-9/h2-7,16H,1H3 |
| InChI Key | SSAJCSRUENTPGH-UHFFFAOYSA-N |
| MDL Number | MFCD00845214 |
| Molecular Formula | C13H10ClN3O |
| Molecular Weight | 259.6910 |
| SMILES | Cc1nc2cc(nn2c(c1Cl)O)c1ccccc1 |
| Synonyms | 6-Chloro-7-hydroxy-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine,
189018-17-5,
CBMicro_008719,
AC1LFXP9,
Oprea1_556886,
Oprea1_702271,
SMSF0006616,
ZINC17945193,
BIM-0008801.P001,
6-chloro-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one,
6-Chloro-7-hydroxy-5-methyl-2-phenylpyrazolo[1,5-a]-pyrimidine, AldrichCPR,
CID810715,
CB11372,
|
| Complexity | 487 |
| 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 | 1 |
| Topological Polar Surface Area | 44.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number