| CAS Number | 1006463-55-3 |
| Catalog Number | AG019OP0 |
| Chemical Name | 4-fluoro-N-methyl-N'-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzene-1-carboximidamide |
| IUPAC Name | 4-fluoro-N'-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide |
| InChI | InChI=1S/C14H17FN4/c1-10(2)19-13(8-9-17-19)18-14(16-3)11-4-6-12(15)7-5-11/h4-10H,1-3H3,(H,16,18) |
| InChI Key | GIKJWWIQTLRWEN-UHFFFAOYSA-N |
| MDL Number | MFCD07348575 |
| Molecular Formula | C14H17FN4 |
| Molecular Weight | 260.3100 |
| SMILES | CNC(C1=CC=C(F)C=C1)=NC1N(C(C)C)N=CC=1 |
| Synonyms | 4-fluoro-N-methyl-N'-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzene-1-carboximidamide,
1006463-55-3,
4-fluoro-N'-(1-isopropyl-1H-pyrazol-5-yl)-N-methylbenzenecarboximidamide,
AC1OFKN9,
AC1Q3XJZ,
CTK6I4165,
ZINC4218541,
AKOS033030287,
MCULE-4265677195,
NE41588,
EN300-14753,
AB00742104-01,
Z108566686,
4-fluoro-N'-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide,
ZINC04218541,
CID7131087,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.144g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.316g/mol |
| Monoisotopic Mass | 260.144g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number