| CAS Number | 1006482-06-9 |
| Catalog Number | AG019OP1 |
| Chemical Name | N-cyclopropyl-4-fluoro-N'-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzene-1-carboximidamide |
| IUPAC Name | N'-cyclopropyl-4-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide |
| InChI | InChI=1S/C16H19FN4/c1-11(2)21-15(9-10-18-21)20-16(19-14-7-8-14)12-3-5-13(17)6-4-12/h3-6,9-11,14H,7-8H2,1-2H3,(H,19,20) |
| InChI Key | HERMRIKRSNJIOT-UHFFFAOYSA-N |
| MDL Number | MFCD07348576 |
| Molecular Formula | C16H19FN4 |
| Molecular Weight | 286.3473 |
| SMILES | CC(N1C(N=C(C2=CC=C(F)C=C2)NC2CC2)=CC=N1)C |
| Synonyms | N-cyclopropyl-4-fluoro-N'-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzene-1-carboximidamide,
1006482-06-9,
N-cyclopropyl-4-fluoro-N'-(1-isopropyl-1H-pyrazol-5-yl)benzenecarboximidamide,
AC1OFKNC,
AC1Q1Q3X,
CTK7B9665,
CTK8G1715,
ZINC13016776,
AKOS033030288,
MCULE-2898885238,
NE33865,
EN300-14754,
Z108566688,
N'-cyclopropyl-4-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide,
(E)-N-cyclopropyl-4-fluoro-N'-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzene-1-carboximidamide,
ZINC06590877,
CID7131088,
|
| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.354g/mol |
| Monoisotopic Mass | 286.159g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number