| CAS Number | 1007518-31-1 |
| Catalog Number | AG01A7TR(AGN-PC-0WOQZ8) |
| Chemical Name | 1-[1-(propan-2-yl)-1H-pyrazol-4-yl]ethan-1-one |
| IUPAC Name | 1-(1-propan-2-ylpyrazol-4-yl)ethanone |
| InChI | InChI=1S/C8H12N2O/c1-6(2)10-5-8(4-9-10)7(3)11/h4-6H,1-3H3 |
| InChI Key | BIWZOSZMTVEENZ-UHFFFAOYSA-N |
| MDL Number | MFCD08700682 |
| Molecular Formula | C8H12N2O |
| Molecular Weight | 152.1937 |
| SMILES | CC(N1N=CC(C(C)=O)=C1)C |
| Synonyms | 1-[1-(propan-2-yl)-1H-pyrazol-4-yl]ethan-1-one,
1007518-31-1,
1-(1-isopropyl-1H-pyrazol-4-yl)ethanone,
1-[1-(propan-2-yl)-1H-pyrazol-4-yl]ethanone,
AC1Q1Q1L,
SCHEMBL13827562,
CTK5J9843,
BBL031090,
STL373191,
ZINC26545666,
AKOS003673327,
MCULE-4416842369,
NE14029,
EN300-59786,
1-(1-propan-2-ylpyrazol-4-yl)ethanone,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.197g/mol |
| Monoisotopic Mass | 152.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number