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Home > Other Heterocycles > 2060046-75-3
2060046-75-3 | 4-[1-(2-methylpropyl)-1H-pyrazol-5-yl]-2-azaspiro[4.4]nonan-1-one
CAS No: 2060046-75-3 Catalog No: AG01BZUN MDL No:MFCD30486867
Product Description
Catalog Number:
AG01BZUN
Chemical Name:
4-[1-(2-methylpropyl)-1H-pyrazol-5-yl]-2-azaspiro[4.4]nonan-1-one
CAS Number:
2060046-75-3
Molecular Formula:
C15H23N3O
Molecular Weight:
261.3626
MDL Number:
MFCD30486867
IUPAC Name:
4-[2-(2-methylpropyl)pyrazol-3-yl]-2-azaspiro[4.4]nonan-1-one
InChI:
InChI=1S/C15H23N3O/c1-11(2)10-18-13(5-8-17-18)12-9-16-14(19)15(12)6-3-4-7-15/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,16,19)
InChI Key:
OCUBLKDRQHSKGF-UHFFFAOYSA-N
SMILES:
CC(Cn1nccc1C1CNC(=O)C21CCCC2)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.184g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.369g/mol
Monoisotopic Mass:
261.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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