| CAS Number | 1052549-97-9 |
| Catalog Number | AG019U5Q |
| Chemical Name | 1-[1-(2,5-dichlorophenyl)ethyl]-1H-pyrazol-5-amine |
| IUPAC Name | 2-[1-(2,5-dichlorophenyl)ethyl]pyrazol-3-amine |
| InChI | InChI=1S/C11H11Cl2N3/c1-7(16-11(14)4-5-15-16)9-6-8(12)2-3-10(9)13/h2-7H,14H2,1H3 |
| InChI Key | UNKGHVUVENUSRZ-UHFFFAOYSA-N |
| MDL Number | MFCD09732895 |
| Molecular Formula | C11H11Cl2N3 |
| Molecular Weight | 256.1311 |
| SMILES | CC(N1C(N)=CC=N1)C1=C(Cl)C=CC(Cl)=C1 |
| Synonyms | 1-[1-(2,5-DICHLOROPHENYL)ETHYL]-1H-PYRAZOL-5-AMINE,
1052549-97-9,
CTK6G7612,
AKOS000141005,
AKOS030635052,
MCULE-8889316756,
NE22658,
Z1342208366,
2-[1-(2,5-dichlorophenyl)ethyl]-2,3-dihydro-1H-pyrazol-3-imine,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.13g/mol |
| Monoisotopic Mass | 255.033g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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