| CAS Number | 1206641-28-2 |
| Catalog Number | AG01C3GG |
| Chemical Name | 1-methanesulfonyl-1H-pyrazol-4-amine |
| IUPAC Name | 1-methylsulfonylpyrazol-4-amine |
| InChI | InChI=1S/C4H7N3O2S/c1-10(8,9)7-3-4(5)2-6-7/h2-3H,5H2,1H3 |
| InChI Key | PDEMILZYVWBCCO-UHFFFAOYSA-N |
| MDL Number | MFCD20703138 |
| Molecular Formula | C4H7N3O2S |
| Molecular Weight | 161.1823 |
| SMILES | CS(=O)(=O)n1cc(cn1)N |
| Synonyms | 1-methanesulfonyl-1H-pyrazol-4-amine,
1206641-28-2,
1-methanesulfonyl-1H-pyrazol-4-ylamine,
SCHEMBL1663043,
PDEMILZYVWBCCO-UHFFFAOYSA-N,
AKOS033866522,
ZINC116802154,
1-(methylsulfonyl)-1H-pyrazol-4-amine,
Z2327893661,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.179g/mol |
| Monoisotopic Mass | 161.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 86.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
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