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1431966-76-5 | 1-(1,3-dimethyl-1H-pyrazol-4-yl)-3-(morpholin-4-yl)propan-1-one hydrochloride
CAS No: 1431966-76-5 Catalog No: AG01FJ9D MDL No:
Product Description
Catalog Number:
AG01FJ9D
Chemical Name:
1-(1,3-dimethyl-1H-pyrazol-4-yl)-3-(morpholin-4-yl)propan-1-one hydrochloride
CAS Number:
1431966-76-5
Molecular Formula:
C12H20ClN3O2
Molecular Weight:
273.7591
IUPAC Name:
1-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride
InChI:
InChI=1S/C12H19N3O2.ClH/c1-10-11(9-14(2)13-10)12(16)3-4-15-5-7-17-8-6-15;/h9H,3-8H2,1-2H3;1H
InChI Key:
HJRDSPIDEMCOTF-UHFFFAOYSA-N
SMILES:
O=C(c1cn(nc1C)C)CCN1CCOCC1.Cl
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.124g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.761g/mol
Monoisotopic Mass:
273.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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