| CAS Number | 1124-02-3 |
| Catalog Number | AG01AH0C(AGN-PC-0NJQKD) |
| Chemical Name | 3,5-Dimethyl-1-propyl-1H-pyrazole |
| IUPAC Name | 3,5-dimethyl-1-propylpyrazole |
| InChI | InChI=1S/C8H14N2/c1-4-5-10-8(3)6-7(2)9-10/h6H,4-5H2,1-3H3 |
| InChI Key | YEAZWCVKENKOLV-UHFFFAOYSA-N |
| MDL Number | MFCD08558489 |
| Molecular Formula | C8H14N2 |
| Molecular Weight | 138.2102 |
| SMILES | CCCN1C(C)=CC(C)=N1 |
| Synonyms | 3,5-dimethyl-1-propyl-1H-pyrazole,
1124-02-3,
1H-Pyrazole, 3,5-dimethyl-1-propyl-,
3,5-dimethyl-1-propylpyrazole,
SCHEMBL6114653,
CTK0G1518,
DTXSID30505497,
MFCD08558489,
SBB024140,
STK351180,
ZINC12394980,
AKOS003673733,
MCULE-7911526937,
NE48210,
RP20473,
ST45115814,
Z667960960,
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| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.214g/mol |
| Monoisotopic Mass | 138.116g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number