1-(1-Ethyl-1H-pyrazol-4-yl)-6-methoxy-2,3,4,9-tetrahydro-1H-β-carboline hydrochloride - CAS 1431962-51-4
Catalog: |
BB048871 |
Product Name: |
1-(1-Ethyl-1H-pyrazol-4-yl)-6-methoxy-2,3,4,9-tetrahydro-1H-β-carboline hydrochloride |
CAS: |
1431962-51-4 |
Synonyms: |
1H-Pyrido[3,4-b]indole, 1-(1-ethyl-1H-pyrazol-4-yl)-2,3,4,9-tetrahydro-6-methoxy-, hydrochloride (1:1); 1-ethyl-4-{6-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl}-1H-pyrazole hydrochloride; 1-(1-ethylpyrazol-4-yl)-6-methoxy-1,2,3,4-tetrahydrobeta-carboline hydrochloride |
Related CAS: | 1006460-73-6 (free base)
|
IUPAC Name: | 1-(1-ethylpyrazol-4-yl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride |
Description: | 1-(1-Ethyl-1H-pyrazol-4-yl)-6-methoxy-2,3,4,9-tetrahydro-1H-β-carboline hydrochloride (CAS# 1431962-51-4 ) is a useful research chemical. |
Molecular Weight: | 332.83 |
Molecular Formula: | C17H21ClN4O |
Canonical SMILES: | CCN1C=C(C=N1)C2C3=C(CCN2)C4=C(N3)C=CC(=C4)OC.Cl |
InChI: | InChI=1S/C17H20N4O.ClH/c1-3-21-10-11(9-19-21)16-17-13(6-7-18-16)14-8-12(22-2)4-5-15(14)20-17;/h4-5,8-10,16,18,20H,3,6-7H2,1-2H3;1H |
InChI Key: | KCNRJYOCLSIJCT-UHFFFAOYSA-N |
Complexity: | 393 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 332.140389 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 332.140389 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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