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Home > Other Heterocycles > 2059941-26-1
2059941-26-1 | 4-(1,4-dimethyl-1H-pyrazol-5-yl)-2-azaspiro[4.4]nonan-1-one
CAS No: 2059941-26-1 Catalog No: AG01BZUL MDL No:MFCD30486864
Product Description
Catalog Number:
AG01BZUL
Chemical Name:
4-(1,4-dimethyl-1H-pyrazol-5-yl)-2-azaspiro[4.4]nonan-1-one
CAS Number:
2059941-26-1
Molecular Formula:
C13H19N3O
Molecular Weight:
233.3095
MDL Number:
MFCD30486864
IUPAC Name:
4-(2,4-dimethylpyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one
InChI:
InChI=1S/C13H19N3O/c1-9-7-15-16(2)11(9)10-8-14-12(17)13(10)5-3-4-6-13/h7,10H,3-6,8H2,1-2H3,(H,14,17)
InChI Key:
DNDQQAOEUZGKHP-UHFFFAOYSA-N
SMILES:
O=C1NCC(C21CCCC2)c1c(C)cnn1C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.153g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.315g/mol
Monoisotopic Mass:
233.153g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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