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1389315-11-0 | 1-{4-[(5-Amino-4-methyl-1H-pyrazol-1-yl)methyl]piperidin-1-yl}ethan-1-one
CAS No: 1389315-11-0 Catalog No: AG01FFLM MDL No:
Product Description
Catalog Number:
AG01FFLM
Chemical Name:
1-{4-[(5-Amino-4-methyl-1H-pyrazol-1-yl)methyl]piperidin-1-yl}ethan-1-one
CAS Number:
1389315-11-0
Molecular Formula:
C12H20N4O
Molecular Weight:
236.3134
IUPAC Name:
1-[4-[(5-amino-4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
InChI:
InChI=1S/C12H20N4O/c1-9-7-14-16(12(9)13)8-11-3-5-15(6-4-11)10(2)17/h7,11H,3-6,8,13H2,1-2H3
InChI Key:
RCPBXHJDPIGQJL-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCC(CC1)Cn1ncc(c1N)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.164g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.319g/mol
Monoisotopic Mass:
236.164g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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