| CAS Number | 1820618-78-7 |
| Catalog Number | AG01AMP2 |
| Chemical Name | 3-methyl-1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-amine hydrochloride |
| IUPAC Name | 5-methyl-2-(thiophen-2-ylmethyl)pyrazol-3-amine;hydrochloride |
| InChI | InChI=1S/C9H11N3S.ClH/c1-7-5-9(10)12(11-7)6-8-3-2-4-13-8;/h2-5H,6,10H2,1H3;1H |
| InChI Key | YPEYUXBLSYICKD-UHFFFAOYSA-N |
| MDL Number | MFCD29033971 |
| Molecular Formula | C9H12ClN3S |
| Molecular Weight | 229.7297 |
| SMILES | Cl.CC1=NN(CC2SC=CC=2)C(N)=C1 |
| Synonyms | 1820618-78-7,
3-methyl-1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-amine hydrochloride,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.726g/mol |
| Monoisotopic Mass | 229.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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