| CAS Number | 1443278-79-2 |
| Catalog Number | AG00AN80(AGN-PC-0WBEUQ) |
| Chemical Name | 4-Iodo-1-methyl-1H-pyrazol-5-amine |
| IUPAC Name | 4-iodo-2-methylpyrazol-3-amine |
| InChI | InChI=1S/C4H6IN3/c1-8-4(6)3(5)2-7-8/h2H,6H2,1H3 |
| InChI Key | XMDZFKOVJFGEGI-UHFFFAOYSA-N |
| MDL Number | MFCD23881258 |
| Molecular Formula | C4H6IN3 |
| Molecular Weight | 223.0150 |
| SMILES | CN1C(=C(C=N1)I)N |
| Synonyms | 4-iodo-1-methyl-1H-pyrazol-5-amine,
1443278-79-2,
SCHEMBL15897513,
1-methyl-4-iodo-5-aminopyrazole,
MFCD23881258,
STL415305,
ZINC75843767,
AKOS018928373,
MCULE-5774991757,
Z2106610623,
|
| Complexity | 87.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.017g/mol |
| Monoisotopic Mass | 222.961g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number