| CAS Number | 1015845-99-4 |
| Catalog Number | AG0004W8(AGN-PC-0WB3QE) |
| Chemical Name | 3-Methyl-1-(pentan-3-yl)-1H-pyrazol-5-amine |
| IUPAC Name | 5-methyl-2-pentan-3-ylpyrazol-3-amine |
| InChI | InChI=1S/C9H17N3/c1-4-8(5-2)12-9(10)6-7(3)11-12/h6,8H,4-5,10H2,1-3H3 |
| InChI Key | LXCXTVZKWPDDQF-UHFFFAOYSA-N |
| MDL Number | MFCD08457387 |
| Molecular Formula | C9H17N3 |
| Molecular Weight | 167.2514 |
| SMILES | N1(C(CC)CC)N=C(C=C1N)C |
| Synonyms | 1015845-99-4,
1-(1-ETHYLPROPYL)-3-METHYL-1H-PYRAZOL-5-AMINE,
3-Methyl-1-(pentan-3-yl)-1H-pyrazol-5-amine,
SCHEMBL18743712,
CTK3J9954,
DTXSID00650928,
MFCD08457387,
ZINC19091170,
AKOS010525181,
AJ-71562,
Y-3918,
1H-Pyrazol-5-amine, 1-(1-ethylpropyl)-3-methyl-,
2-(1-ETHYL-PROPYL)-5-METHYL-2H-PYRAZOL-3-YLAMINE,
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| Complexity | 134 |
| 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 | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number