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Home > Other Heterocycles > 2059945-40-1
2059945-40-1 | 1-[1-(propan-2-yl)-1H-pyrazol-4-yl]-2,7-diazaspiro[3.5]nonane
CAS No: 2059945-40-1 Catalog No: AG01BQFO MDL No:MFCD30501391
Product Description
Catalog Number:
AG01BQFO
Chemical Name:
1-[1-(propan-2-yl)-1H-pyrazol-4-yl]-2,7-diazaspiro[3.5]nonane
CAS Number:
2059945-40-1
Molecular Formula:
C13H22N4
Molecular Weight:
234.3406
MDL Number:
MFCD30501391
IUPAC Name:
3-(1-propan-2-ylpyrazol-4-yl)-2,7-diazaspiro[3.5]nonane
InChI:
InChI=1S/C13H22N4/c1-10(2)17-8-11(7-16-17)12-13(9-15-12)3-5-14-6-4-13/h7-8,10,12,14-15H,3-6,9H2,1-2H3
InChI Key:
BASUOQSUHZOQGG-UHFFFAOYSA-N
SMILES:
CC(n1ncc(c1)C1NCC21CCNCC2)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.184g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.347g/mol
Monoisotopic Mass:
234.184g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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