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Home > Other Heterocycles > 2059972-13-1
2059972-13-1 | 4-[1-(propan-2-yl)-1H-pyrazol-5-yl]-2-azaspiro[4.4]nonan-1-one
CAS No: 2059972-13-1 Catalog No: AG01BZUK MDL No:MFCD30486863
Product Description
Catalog Number:
AG01BZUK
Chemical Name:
4-[1-(propan-2-yl)-1H-pyrazol-5-yl]-2-azaspiro[4.4]nonan-1-one
CAS Number:
2059972-13-1
Molecular Formula:
C14H21N3O
Molecular Weight:
247.3360
MDL Number:
MFCD30486863
IUPAC Name:
4-(2-propan-2-ylpyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one
InChI:
InChI=1S/C14H21N3O/c1-10(2)17-12(5-8-16-17)11-9-15-13(18)14(11)6-3-4-7-14/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H,15,18)
InChI Key:
USFLECYAYMQOSI-UHFFFAOYSA-N
SMILES:
CC(n1nccc1C1CNC(=O)C21CCCC2)C
Properties
Complexity:
336
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:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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