| CAS Number | 1379264-55-7 |
| Catalog Number | AG01B4TN |
| Chemical Name | 5-(pyrrolidine-1-carbonyl)-1H-indazole |
| IUPAC Name | 1H-indazol-5-yl(pyrrolidin-1-yl)methanone |
| InChI | InChI=1S/C12H13N3O/c16-12(15-5-1-2-6-15)9-3-4-11-10(7-9)8-13-14-11/h3-4,7-8H,1-2,5-6H2,(H,13,14) |
| InChI Key | FTQSTHPGIMHTLM-UHFFFAOYSA-N |
| MDL Number | MFCD20545685 |
| Molecular Formula | C12H13N3O |
| Molecular Weight | 215.2511 |
| SMILES | O=C(C1=CC2=C(NN=C2)C=C1)N1CCCC1 |
| Synonyms | 5-(pyrrolidine-1-carbonyl)-1H-indazole,
1379264-55-7,
ZINC82271410,
AKOS012112249,
MCULE-5600012650,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.256g/mol |
| Monoisotopic Mass | 215.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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