| CAS Number | 380394-41-2 |
| Catalog Number | AG019OP3 |
| Chemical Name | 4-fluoro-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzene-1-carboximidamide |
| IUPAC Name | 4-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide |
| InChI | InChI=1S/C18H17FN4/c1-13-12-17(23(22-13)16-6-4-3-5-7-16)21-18(20-2)14-8-10-15(19)11-9-14/h3-12H,1-2H3,(H,20,21) |
| InChI Key | SHDACFGLZIXQGZ-UHFFFAOYSA-N |
| MDL Number | MFCD02708501 |
| Molecular Formula | C18H17FN4 |
| Molecular Weight | 308.3528 |
| SMILES | CNC(C1=CC=C(F)C=C1)=NC1N(C2=CC=CC=C2)N=C(C)C=1 |
| Synonyms | 4-fluoro-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzene-1-carboximidamide,
380394-41-2,
4-fluoro-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzenecarboximidamide,
AC1Q3XJX,
AC1M56GQ,
MLS000048414,
CHEMBL2362216,
CTK6I4162,
HMS2505C06,
ZINC12504786,
AKOS034455440,
NE28318,
SMR000060623,
EN300-14756,
SR-01000029343,
SR-01000029343-1,
Z56792826,
4-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide,
ZINC03195317,
CID2322836,
|
| Complexity | 400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.144g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.36g/mol |
| Monoisotopic Mass | 308.144g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number