| CAS Number | 4788-15-2 |
| Catalog Number | AG00DAWT(AGN-PC-0NAPZ6) |
| Chemical Name | 5-Amino-1-ethyl-1H-pyrazole-4-carbonitrile |
| IUPAC Name | 5-amino-1-ethylpyrazole-4-carbonitrile |
| InChI | InChI=1S/C6H8N4/c1-2-10-6(8)5(3-7)4-9-10/h4H,2,8H2,1H3 |
| InChI Key | UXCCGIWVLMDSPZ-UHFFFAOYSA-N |
| MDL Number | MFCD04973471 |
| Molecular Formula | C6H8N4 |
| Molecular Weight | 136.1545 |
| SMILES | NC1=C(C=NN1CC)C#N |
| Synonyms | 5-AMINO-1-ETHYL-1H-PYRAZOLE-4-CARBONITRILE,
4788-15-2,
1H-Pyrazole-4-carbonitrile, 5-amino-1-ethyl-,
SCHEMBL2193196,
CTK4J0400,
DTXSID80444923,
UXCCGIWVLMDSPZ-UHFFFAOYSA-N,
ZINC2540679,
AKOS008967289,
ZINC103467040,
MCULE-6519721631,
NE41307,
1H-Pyrazole-4-carbonitrile,5-amino-1-ethyl-,
EN300-85607,
2-ethyl-3-imino-2,3-dihydro-1H-pyrazole-4-carbonitrile,
Z1262691701,
CID10796792,
5-amino-1-ethyl-pyrazole-4-carbonitrile,
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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 | 136.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.158g/mol |
| Monoisotopic Mass | 136.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number