Name: Name:4-{7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepin-1-yl}pyridine
Brand: Angene
SKU: AG01BUS8
Rating: 90 (10 reviews)

4-{7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepin-1-yl}pyridine

CAS No.:

2060063-52-5

Catalog Number:

AG01BUS8

Molecular Formula:

C14H18N4

Molecular Weight:

242.3195

Catalog Number:

AG01BUS8

Chemical Name:

4-{7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepin-1-yl}pyridine

CAS Number:

2060063-52-5

Molecular Formula:

C14H18N4

Molecular Weight:

242.3195

MDL Number:

MFCD30497560

IUPAC Name:

7,7-dimethyl-1-pyridin-4-yl-4,5,6,8-tetrahydropyrazolo[4,3-c]azepine

InChI:

InChI=1S/C14H18N4/c1-14(2)7-13-11(8-16-10-14)9-17-18(13)12-3-5-15-6-4-12/h3-6,9,16H,7-8,10H2,1-2H3

InChI Key:

CTKFHZUJRKIZNB-UHFFFAOYSA-N

SMILES:

CC1(C)CNCc2c(C1)n(nc2)c1ccncc1

Complexity:

286

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.153g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.326g/mol

Monoisotopic Mass:

242.153g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4