Name: Name:1-(4-fluorophenyl)-7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine dihydrochloride
Brand: Angene
SKU: AG01C00X
Rating: 90 (10 reviews)

1-(4-fluorophenyl)-7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine dihydrochloride

CAS No.:

2059937-59-4

Catalog Number:

AG01C00X

Molecular Formula:

C15H20Cl2FN3

Molecular Weight:

332.2438

Catalog Number:

AG01C00X

Chemical Name:

1-(4-fluorophenyl)-7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine dihydrochloride

CAS Number:

2059937-59-4

Molecular Formula:

C15H20Cl2FN3

Molecular Weight:

332.2438

MDL Number:

MFCD30497764

IUPAC Name:

1-(4-fluorophenyl)-7,7-dimethyl-4,5,6,8-tetrahydropyrazolo[4,3-c]azepine;dihydrochloride

InChI:

InChI=1S/C15H18FN3.2ClH/c1-15(2)7-14-11(8-17-10-15)9-18-19(14)13-5-3-12(16)4-6-13;;/h3-6,9,17H,7-8,10H2,1-2H3;2*1H

InChI Key:

VINUECGOACXWAD-UHFFFAOYSA-N

SMILES:

Fc1ccc(cc1)n1ncc2c1CC(C)(C)CNC2.Cl.Cl

Complexity:

313

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

331.102g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

332.244g/mol

Monoisotopic Mass:

331.102g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: