| CAS Number | 1003012-14-3 |
| Catalog Number | AG01A0IY(AGN-PC-0WOD1Q) |
| Chemical Name | 1-(3-methylbutyl)-1H-pyrazol-3-amine |
| IUPAC Name | 1-(3-methylbutyl)pyrazol-3-amine |
| InChI | InChI=1S/C8H15N3/c1-7(2)3-5-11-6-4-8(9)10-11/h4,6-7H,3,5H2,1-2H3,(H2,9,10) |
| InChI Key | BTTKVSKNKAZIDZ-UHFFFAOYSA-N |
| MDL Number | MFCD12149362 |
| Molecular Formula | C8H15N3 |
| Molecular Weight | 153.2248 |
| SMILES | CC(CCN1N=C(N)C=C1)C |
| Synonyms | 1-(3-methylbutyl)-1H-pyrazol-3-amine,
1003012-14-3,
1-isopentyl-1H-pyrazol-3-amine,
SCHEMBL757448,
KS-00001NBF,
BTTKVSKNKAZIDZ-UHFFFAOYSA-N,
1-iso-pentyl-1H-pyrazol-3-ylamine,
MFCD12149362,
ZINC37418638,
(1-Isopentyl-1H-pyrazol-3-yl)amine,
AKOS009998227,
MCULE-9112554521,
NE36019,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.229g/mol |
| Monoisotopic Mass | 153.127g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number