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Home > Other Heterocycles > 2059993-31-4
2059993-31-4 | 1-[1-(propan-2-yl)-1H-pyrazol-4-yl]-2-azaspiro[3.5]nonane
CAS No: 2059993-31-4 Catalog No: AG01BQFM MDL No:MFCD30501389
Product Description
Catalog Number:
AG01BQFM
Chemical Name:
1-[1-(propan-2-yl)-1H-pyrazol-4-yl]-2-azaspiro[3.5]nonane
CAS Number:
2059993-31-4
Molecular Formula:
C14H23N3
Molecular Weight:
233.3525
MDL Number:
MFCD30501389
IUPAC Name:
3-(1-propan-2-ylpyrazol-4-yl)-2-azaspiro[3.5]nonane
InChI:
InChI=1S/C14H23N3/c1-11(2)17-9-12(8-16-17)13-14(10-15-13)6-4-3-5-7-14/h8-9,11,13,15H,3-7,10H2,1-2H3
InChI Key:
RGKYAQVSULUFQX-UHFFFAOYSA-N
SMILES:
CC(n1ncc(c1)C1NCC21CCCCC2)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.189g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.359g/mol
Monoisotopic Mass:
233.189g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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