| CAS Number | 1177346-71-2 |
| Catalog Number | AG00J1RK(AGN-PC-0WB3XQ) |
| Chemical Name | 3-methyl-1-propyl-1H-pyrazole-4-carbonitrile |
| IUPAC Name | 3-methyl-1-propylpyrazole-4-carbonitrile |
| InChI | InChI=1S/C8H11N3/c1-3-4-11-6-8(5-9)7(2)10-11/h6H,3-4H2,1-2H3 |
| InChI Key | RJZMOVWEJNFGAX-UHFFFAOYSA-N |
| MDL Number | MFCD10686560 |
| Molecular Formula | C8H11N3 |
| Molecular Weight | 149.1930 |
| SMILES | C1(C#N)=CN(N=C1C)CCC |
| Synonyms | 3-Methyl-1-propyl-1H-pyrazole-4-carbonitrile,
1177346-71-2,
MFCD10686560,
ZINC19092157,
AKOS006303607,
AJ-71764,
Y-6340,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.197g/mol |
| Monoisotopic Mass | 149.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number