200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 2059974-96-6
2059974-96-6 | 8-[1-(2-methylpropyl)-1H-pyrazol-5-yl]-6-azaspiro[3.4]octan-5-one
CAS No: 2059974-96-6 Catalog No: AG01BZUF MDL No:MFCD30486858
Product Description
Catalog Number:
AG01BZUF
Chemical Name:
8-[1-(2-methylpropyl)-1H-pyrazol-5-yl]-6-azaspiro[3.4]octan-5-one
CAS Number:
2059974-96-6
Molecular Formula:
C14H21N3O
Molecular Weight:
247.3360
MDL Number:
MFCD30486858
IUPAC Name:
8-[2-(2-methylpropyl)pyrazol-3-yl]-6-azaspiro[3.4]octan-5-one
InChI:
InChI=1S/C14H21N3O/c1-10(2)9-17-12(4-7-16-17)11-8-15-13(18)14(11)5-3-6-14/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,15,18)
InChI Key:
JBFFSHFSDYVLNB-UHFFFAOYSA-N
SMILES:
CC(Cn1nccc1C1CNC(=O)C21CCC2)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.342g/mol
Monoisotopic Mass:
247.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.