| CAS Number | 1187862-39-0 |
| Catalog Number | AG01B1PU(AGN-PC-0WOTH1) |
| Chemical Name | 3-(3-Methylbutyl)-1H-pyrazol-5-amine |
| IUPAC Name | 5-(3-methylbutyl)-1H-pyrazol-3-amine |
| InChI | InChI=1S/C8H15N3/c1-6(2)3-4-7-5-8(9)11-10-7/h5-6H,3-4H2,1-2H3,(H3,9,10,11) |
| InChI Key | KAJIUTBTSBVUAT-UHFFFAOYSA-N |
| MDL Number | MFCD10692156 |
| Molecular Formula | C8H15N3 |
| Molecular Weight | 153.2248 |
| SMILES | CC(CCC1=NNC(N)=C1)C |
| Synonyms | 3-(3-methylbutyl)-1H-pyrazol-5-amine,
1187862-39-0,
SCHEMBL8015584,
ZINC26515476,
AKOS009237097,
AKOS022482366,
MCULE-8589863684,
NE38032,
Z1809367755,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.229g/mol |
| Monoisotopic Mass | 153.127g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number