| CAS Number | 2817-73-4 |
| Catalog Number | AG019ZLF(AGN-PC-0L8WBQ) |
| Chemical Name | 3,5-diethyl-1H-pyrazole |
| IUPAC Name | 3,5-diethyl-1H-pyrazole |
| InChI | InChI=1S/C7H12N2/c1-3-6-5-7(4-2)9-8-6/h5H,3-4H2,1-2H3,(H,8,9) |
| InChI Key | UFLLSVUGUWBXJA-UHFFFAOYSA-N |
| MDL Number | MFCD23894223 |
| Molecular Formula | C7H12N2 |
| Molecular Weight | 124.1836 |
| SMILES | C(C)C1=NNC(=C1)CC |
| Synonyms | 3,5-diethyl-1H-pyrazole,
2817-73-4,
1H-Pyrazole,3,5-diethyl-,
3,5-diethylpyrazole,
AC1N7PXJ,
1H-Pyrazole, 3,5-diethyl-,
SCHEMBL1205841,
UFLLSVUGUWBXJA-UHFFFAOYSA-N,
ZINC6359090,
AKOS018978860,
Z1998853441,
CID4306367,
|
| Complexity | 83 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.187g/mol |
| Monoisotopic Mass | 124.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number