| CAS Number | 1803583-30-3 |
| Catalog Number | AG01BCBH |
| Chemical Name | 4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazole hydrochloride |
| IUPAC Name | 4-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;hydrochloride |
| InChI | InChI=1S/C9H7N5.ClH/c1-2-10-9-7(1)8(11-5-12-9)6-3-13-14-4-6;/h1-5H,(H,13,14)(H,10,11,12);1H |
| InChI Key | UAGNANZPOYXWNH-UHFFFAOYSA-N |
| MDL Number | MFCD28968171 |
| Molecular Formula | C9H8ClN5 |
| Molecular Weight | 221.6463 |
| SMILES | Cl.C1NC2=C(C(C3=CNN=C3)=NC=N2)C=1 |
| Synonyms | 1803583-30-3,
4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazole hydrochloride,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.648g/mol |
| Monoisotopic Mass | 221.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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