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1422067-42-2 | N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CAS No: 1422067-42-2 Catalog No: AG01DI4Z MDL No:
Product Description
Catalog Number:
AG01DI4Z
Chemical Name:
N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CAS Number:
1422067-42-2
Molecular Formula:
C13H20N4O2
Molecular Weight:
264.3235
IUPAC Name:
N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide
InChI:
InChI=1S/C13H20N4O2/c1-17-7-10(4-16-17)13(18)15-6-12-11-5-14-3-2-9(11)8-19-12/h4,7,9,11-12,14H,2-3,5-6,8H2,1H3,(H,15,18)/t9-,11-,12+/m0/s1
InChI Key:
MCCPIZCXYNIINN-ZMLRMANQSA-N
SMILES:
Cn1ncc(c1)C(=O)NC[C@H]1OC[C@H]2[C@@H]1CNCC2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
264.159g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.329g/mol
Monoisotopic Mass:
264.159g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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