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1422065-70-0 | (2S,3aR,7aS)-2-((1H-pyrazol-1-yl)methyl)-1-isopropyloctahydro-1H-pyrrolo[3,2-c]pyridine
CAS No: 1422065-70-0 Catalog No: AG01DHL5 MDL No:
Product Description
Catalog Number:
AG01DHL5
Chemical Name:
(2S,3aR,7aS)-2-((1H-pyrazol-1-yl)methyl)-1-isopropyloctahydro-1H-pyrrolo[3,2-c]pyridine
CAS Number:
1422065-70-0
Molecular Formula:
C14H24N4
Molecular Weight:
248.3672
IUPAC Name:
(2S,3aR,7aS)-1-propan-2-yl-2-(pyrazol-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
InChI:
InChI=1S/C14H24N4/c1-11(2)18-13(10-17-7-3-5-16-17)8-12-9-15-6-4-14(12)18/h3,5,7,11-15H,4,6,8-10H2,1-2H3/t12-,13+,14+/m1/s1
InChI Key:
HYYRVRYJCPRSEQ-RDBSUJKOSA-N
SMILES:
CC(N1[C@@H](C[C@H]2[C@@H]1CCNC2)Cn1cccn1)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
248.2g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.374g/mol
Monoisotopic Mass:
248.2g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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