| CAS Number | 85964-21-2 |
| Catalog Number | AG00ISLX(AGN-PC-0WAZLP) |
| Chemical Name | 1-(5-chloro-2-pyridinyl)-5-methyl-4,5-dihydro -1H-pyrazol-3-amine |
| IUPAC Name | 2-(5-chloropyridin-2-yl)-3-methyl-3,4-dihydropyrazol-5-amine |
| InChI | InChI=1S/C9H11ClN4/c1-6-4-8(11)13-14(6)9-3-2-7(10)5-12-9/h2-3,5-6H,4H2,1H3,(H2,11,13) |
| InChI Key | UVBPMYBQHDMKKL-UHFFFAOYSA-N |
| MDL Number | MFCD11100248 |
| Molecular Formula | C9H11ClN4 |
| Molecular Weight | 210.6634 |
| SMILES | ClC2(=CN=C(N1(N=C(N)CC1C))C=C2) |
| Synonyms | 1-(5-chloro-2-pyridinyl)-5-methyl-4,5-dihydro-1H-pyrazol-3-amine,
85964-21-2,
1-(5-Chloropyridin-2-yl)-5-methyl-4,5-dihydro-1H-pyrazol-3-amine,
SCHEMBL10849681,
CTK6H1522,
UVBPMYBQHDMKKL-UHFFFAOYSA-N,
KS-000025FV,
MFCD11100248,
SBB094411,
AKOS005072532,
GC-0756,
MCULE-2233622788,
RP12264,
TR-064899,
1-(5-chloro(2-pyridyl))-5-methyl-2-pyrazoline-3-ylamine,
2-(3-Amino-5-methyl-2-pyrazolin-1-yl)-5-chloropyridine,
1-(5-chloropyridin-2-yl)-5-methyl-4,5-dihydropyrazol-3-amine,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.665g/mol |
| Monoisotopic Mass | 210.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number