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1448855-42-2 | 1-4-[(5-Amino-1H-pyrazol-1-yl)methyl]piperidin-1-ylethan-1-one
CAS No: 1448855-42-2 Catalog No: AG01FFLL MDL No:
Product Description
Catalog Number:
AG01FFLL
Chemical Name:
1-4-[(5-Amino-1H-pyrazol-1-yl)methyl]piperidin-1-ylethan-1-one
CAS Number:
1448855-42-2
Molecular Formula:
C11H18N4O
Molecular Weight:
222.2868
IUPAC Name:
1-[4-[(5-aminopyrazol-1-yl)methyl]piperidin-1-yl]ethanone
InChI:
InChI=1S/C11H18N4O/c1-9(16)14-6-3-10(4-7-14)8-15-11(12)2-5-13-15/h2,5,10H,3-4,6-8,12H2,1H3
InChI Key:
IQWSTMPILZTNHO-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCC(CC1)Cn1nccc1N
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.148g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.292g/mol
Monoisotopic Mass:
222.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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