| CAS Number | 1170656-69-5 |
| Catalog Number | AG019MCY |
| Chemical Name | 5-Amino-3-(3-aminopropyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile hydrochloride |
| IUPAC Name | 5-amino-3-(3-aminopropyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile;hydrochloride |
| InChI | InChI=1S/C13H14FN5.ClH/c14-9-3-5-10(6-4-9)19-13(17)11(8-16)12(18-19)2-1-7-15;/h3-6H,1-2,7,15,17H2;1H |
| InChI Key | HVKBUFCKGJKOLE-UHFFFAOYSA-N |
| MDL Number | MFCD10686766 |
| Molecular Formula | C13H15ClFN5 |
| Molecular Weight | 295.7431 |
| SMILES | Cl.NCCCC1C(C#N)=C(N)N(C2=CC=C(F)C=C2)N=1 |
| Synonyms | 5-amino-3-(3-aminopropyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile hydrochloride,
1170656-69-5,
EN300-35793,
AC1Q3DBJ,
CTK7E7849,
AKOS034243526,
MCULE-7414180645,
NE18971,
Z367451188,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.746g/mol |
| Monoisotopic Mass | 295.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number