1H-Indazole, 1-benzyl-6-chloro-3-(3-(dimethylamino)propoxy)-, monohydrochloride

HCID 200271

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Basic information

CAS: 1472-49-7
Standard SMILES: CN(C)CCCOc1nn(Cc2ccccc2)c2cc(Cl)ccc12.Cl
InChIKey: QIUMLXKYFQKZRU-UHFFFAOYSA-N
Molecular formula: C19H23Cl2N3O
Average molar mass: 380.3 g/mol
Monoisotopic mass: 379.1218178

Names & identifiers

Preferred name: 1H-Indazole, 1-benzyl-6-chloro-3-(3-(dimethylamino)propoxy)-, monohydrochloride
IUPAC: 3-(1-benzyl-6-chloroindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride

Names & synonyms

1H-Indazole, 1-benzyl-6-chloro-3-(3-(dimethylamino)propoxy)-, monohydrochloride1-Benzyl-6-chloro-3-(3-(dimethylamino)propoxy)-1H-indazole monohydrochloride1472-49-7DTXSID10163615RefChem:238346DTXCID30861063-[(1-Benzyl-6-chloro-1H-indazol-3-yl)oxy]-N,N-dimethylpropan-1-amine--hydrogen chloride (1/1)

Database identifiers

CAS: 1472-49-7
PubChem CID: 200271
DTXSID: DTXSID10163615

Properties

Computed structural properties

Topological polar surface area: 30.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 0
Complexity: 376

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