| CAS Number | 1006471-43-7 |
| Catalog Number | AG0002KK(AGN-PC-0WB3VL) |
| Chemical Name | 1-ethyl-3-methyl-1H-pyrazole-4-carbonitrile |
| IUPAC Name | 1-ethyl-3-methylpyrazole-4-carbonitrile |
| InChI | InChI=1S/C7H9N3/c1-3-10-5-7(4-8)6(2)9-10/h5H,3H2,1-2H3 |
| InChI Key | JMCHQKIBVJRNIP-UHFFFAOYSA-N |
| MDL Number | MFCD04969707 |
| Molecular Formula | C7H9N3 |
| Molecular Weight | 135.1665 |
| SMILES | C1(C#N)=CN(N=C1C)CC |
| Synonyms | 1-ethyl-3-methyl-1H-pyrazole-4-carbonitrile,
1006471-43-7,
1-ethyl-3-methylpyrazole-4-carbonitrile,
SCHEMBL12888201,
CTK3J9156,
DTXSID70587959,
ALBB-032334,
ZINC2537521,
MFCD04969707,
SBB014819,
STK787521,
AKOS000309839,
MCULE-4492714615,
AJ-38706,
ST4143372,
Y-1519,
1H-Pyrazole-4-carbonitrile, 1-ethyl-3-methyl-,
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| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.17g/mol |
| Monoisotopic Mass | 135.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number