| CAS Number | 5346-61-2 |
| Catalog Number | AG01E720(AGN-PC-0JN9U9) |
| Chemical Name | 5-Amino-1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carbonitrile |
| IUPAC Name | 5-amino-1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile |
| InChI | InChI=1S/C7H10N4O/c1-5-6(4-8)7(9)11(10-5)2-3-12/h12H,2-3,9H2,1H3 |
| InChI Key | BLEZVCYUFBTTOD-UHFFFAOYSA-N |
| MDL Number | MFCD00128325 |
| Molecular Formula | C7H10N4O |
| Molecular Weight | 166.1805 |
| NSC Number | 1653 |
| SMILES | CC1C(C#N)=C(N)N(CCO)N=1 |
| Synonyms | 5346-61-2,
5-Amino-1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carbonitrile,
5-amino-1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile,
NSC1653,
AC1L57O9,
AC1Q4R90,
SCHEMBL8552268,
CTK4J8125,
DTXSID60277317,
BLEZVCYUFBTTOD-UHFFFAOYSA-N,
NSC-1653,
ZINC1576950,
AKOS017529498,
1-.beta.-Hydroxyethyl-3-methyl-4-cyano-5-aminopyrazole,
1H-Pyrazole-4-carbonitrile,5-amino-1-(2-hydroxyethyl)-3-methyl-,
5-AMINO-(2-HYDROXYETHYL)-3-METHYLPYRAZOLE-4-CARBONITRILE,
5-Amino-1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carbonitrile #,
AR-1G6984,
CID219873,
59643-85-5,
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| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.184g/mol |
| Monoisotopic Mass | 166.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
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