| CAS Number | 2629-98-3 |
| Catalog Number | AG019U04(AGN-PC-0KLTNY) |
| Chemical Name | 3-methyl-1-pentyl-1H-pyrazol-5-amine |
| IUPAC Name | 5-methyl-2-pentylpyrazol-3-amine |
| InChI | InChI=1S/C9H17N3/c1-3-4-5-6-12-9(10)7-8(2)11-12/h7H,3-6,10H2,1-2H3 |
| InChI Key | OPUVWTMPLSEWQX-UHFFFAOYSA-N |
| MDL Number | MFCD00462236 |
| Molecular Formula | C9H17N3 |
| Molecular Weight | 167.2514 |
| SMILES | CCCCCN1C(N)=CC(C)=N1 |
| Synonyms | 3-methyl-1-pentyl-1H-pyrazol-5-amine,
2629-98-3,
CBDivE_011708,
AC1MD00O,
SCHEMBL6128069,
5-methyl-2-pentylpyrazol-3-amine,
ZINC3164669,
AKOS011002336,
AKOS016909209,
ZINC102493283,
MCULE-3535092882,
NE43752,
5-methyl-2-pentyl-2,3-dihydro-1H-pyrazol-3-imine,
Z1336457506,
CID2828712,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.256g/mol |
| Monoisotopic Mass | 167.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number