| CAS Number | 1158103-99-1 |
| Catalog Number | AG01A7NK |
| Chemical Name | 3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-hydroxybenzene-1-carboximidamide |
| IUPAC Name | 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide |
| InChI | InChI=1S/C13H16N4O/c1-9-6-10(2)17(15-9)8-11-4-3-5-12(7-11)13(14)16-18/h3-7,18H,8H2,1-2H3,(H2,14,16) |
| InChI Key | NGBOLHCXGNMUHM-UHFFFAOYSA-N |
| MDL Number | MFCD09944130 |
| Molecular Formula | C13H16N4O |
| Molecular Weight | 244.2923 |
| SMILES | CC1=NN(CC2=CC(C(N)=NO)=CC=C2)C(C)=C1 |
| Synonyms | 1158103-99-1,
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-hydroxybenzene-1-carboximidamide,
CTK8A6046,
Z951367792,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.298g/mol |
| Monoisotopic Mass | 244.132g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number