3-Chloro-1-methyl-1h-pyrazol-5-amine Hydrochloride - CAS 1312949-22-6
Catalog: |
BB062541 |
Product Name: |
3-Chloro-1-methyl-1h-pyrazol-5-amine Hydrochloride |
CAS: |
1312949-22-6 |
Synonyms: |
3-CHLORO-1-METHYL-1H-PYRAZOL-5-AMINE HYDROCHLORIDE; 5-chloro-2-methylpyrazol-3-amine; hydrochloride; 3-chloro-1-methyl-1h-pyrazol-5-amine hcl; 5-Chloro-2-methylpyrazol-3-amine HCl |
IUPAC Name: | 5-chloro-2-methylpyrazol-3-aminehydrochloride |
Description: | 3-Chloro-1-methyl-1h-pyrazol-5-amine Hydrochloride is a reagent used in the preparation of heteroaryl-fused pyridines as orexin receptor inhibitors useful in the treatment of orexin receptor-mediated diseases. |
Molecular Weight: | 131.56 + (36.46) |
Molecular Formula: | C4H6ClN3·(HCl) |
Canonical SMILES: | CN1C(=CC(=N1)Cl)N.Cl |
InChI: | InChI=1S/C4H6ClN3.ClH/c1-8-4(6)2-3(5)7-8/h2H,6H2,1H31H |
InChI Key: | IBCTVRKXWOMDEP-UHFFFAOYSA-N |
References: | Badiger, S., et al. From PCT Int. Appl. (2011), WO 2011076744 A1 20110630. |
Complexity: | 87.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.0017026 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.0017026 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 43.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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