| CAS Number | 1000896-88-7 |
| Catalog Number | AG008V91(AGN-PC-0WB3P9) |
| Chemical Name | 5-Isobutyl-1H-pyrazol-3-amine |
| IUPAC Name | 5-(2-methylpropyl)-1H-pyrazol-3-amine |
| InChI | InChI=1S/C7H13N3/c1-5(2)3-6-4-7(8)10-9-6/h4-5H,3H2,1-2H3,(H3,8,9,10) |
| InChI Key | QDBRDMCFYCUCPL-UHFFFAOYSA-N |
| MDL Number | MFCD10695208 |
| Molecular Formula | C7H13N3 |
| Molecular Weight | 139.1982 |
| SMILES | N1=C(N)C=C(CC(C)C)N1 |
| Synonyms | 5-Isobutyl-1H-pyrazol-3-amine,
1000896-88-7,
3-(2-methylpropyl)-1H-pyrazol-5-amine,
5-(2-methylpropyl)-2H-pyrazol-3-amine,
AC1Q1P9R,
SCHEMBL692024,
QDBRDMCFYCUCPL-UHFFFAOYSA-N,
MFCD10695208,
ZINC34939698,
AKOS005199928,
AKOS022185017,
MCULE-8028898817,
5-isobutyl-1H-pyrazol-3-amine(SALTDATA,
EN300-50580,
Y-6421,
Z1259339741,
|
| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.202g/mol |
| Monoisotopic Mass | 139.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number