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Home > Other Heterocycles > 2059955-86-9
2059955-86-9 | 1-[1-(2-methylpropyl)-1H-pyrazol-4-yl]-2-azaspiro[3.4]octane
CAS No: 2059955-86-9 Catalog No: AG01BQFQ MDL No:MFCD30501393
Product Description
Catalog Number:
AG01BQFQ
Chemical Name:
1-[1-(2-methylpropyl)-1H-pyrazol-4-yl]-2-azaspiro[3.4]octane
CAS Number:
2059955-86-9
Molecular Formula:
C14H23N3
Molecular Weight:
233.3525
MDL Number:
MFCD30501393
IUPAC Name:
3-[1-(2-methylpropyl)pyrazol-4-yl]-2-azaspiro[3.4]octane
InChI:
InChI=1S/C14H23N3/c1-11(2)8-17-9-12(7-16-17)13-14(10-15-13)5-3-4-6-14/h7,9,11,13,15H,3-6,8,10H2,1-2H3
InChI Key:
YRISKIOSPMIUPE-UHFFFAOYSA-N
SMILES:
CC(Cn1ncc(c1)C1NCC21CCCC2)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:
3
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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