| CAS Number | 874136-24-0 |
| Catalog Number | AG00IEIG(AGN-PC-0DWOB3) |
| Chemical Name | 1H-Pyrazol-5-amine, 3-(1,1-dimethylethyl)-1-ethyl- |
| IUPAC Name | 5-tert-butyl-2-ethylpyrazol-3-amine |
| InChI | InChI=1S/C9H17N3/c1-5-12-8(10)6-7(11-12)9(2,3)4/h6H,5,10H2,1-4H3 |
| InChI Key | LWVOMKQXJWRIIA-UHFFFAOYSA-N |
| MDL Number | MFCD14620029 |
| Molecular Formula | C9H17N3 |
| Molecular Weight | 167.2514 |
| SMILES | C(C)(C)(C)C1=NN(C(=C1)N)CC |
| Synonyms | 3-tert-butyl-1-ethyl-1H-pyrazol-5-amine,
874136-24-0,
1H-Pyrazol-5-amine, 3-(1,1-dimethylethyl)-1-ethyl-,
3-(tert-Butyl)-1-ethyl-1H-pyrazol-5-amine,
SCHEMBL3843249,
LWVOMKQXJWRIIA-UHFFFAOYSA-N,
MFCD14620029,
ZINC41043636,
AKOS010517094,
NE57844,
3-t-Butyl-1-ethyl-1H-pyrazol-5-amine,
AS-40402,
3-tert-butyl-1-ethyl-1H-pyrazole-5-amine,
F8880-4011,
|
| Complexity | 150 |
| 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 | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number