| CAS Number | 56367-26-1 |
| Catalog Number | AG00ES92(AGN-PC-0NI39E) |
| Chemical Name | 5-Butyl-1H-pyrazol-3-amine |
| IUPAC Name | 5-butyl-1H-pyrazol-3-amine |
| InChI | InChI=1S/C7H13N3/c1-2-3-4-6-5-7(8)10-9-6/h5H,2-4H2,1H3,(H3,8,9,10) |
| InChI Key | KLEIWKYPWDZGCV-UHFFFAOYSA-N |
| MDL Number | MFCD10695066 |
| Molecular Formula | C7H13N3 |
| Molecular Weight | 139.1982 |
| SMILES | NC1=NNC(CCCC)=C1 |
| Synonyms | 3-butyl-1H-pyrazol-5-amine,
56367-26-1,
5-butyl-1H-pyrazol-3-amine,
5-BUTYL-1(2)H-PYRAZOL-3-YLAMINE,
AC1Q2VL9,
3-AMino-5-butyl-1H-pyrazole,
SCHEMBL4057745,
SCHEMBL9140451,
CTK6D6235,
ZINC34939705,
AKOS005199927,
MCULE-5522261916,
NE23533,
FT-0768639,
EN300-53281,
|
| Complexity | 94.9 |
| 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 | 3 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number