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Home Aldehydes 1-methyl-5-(morpholin-4-yl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde

1-methyl-5-(morpholin-4-yl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde

CAS No.:
1258650-64-4
Catalog Number:
AG01A8ZI
Molecular Formula:
C12H19N3O2
Molecular Weight:
237.2982
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Product Description
Catalog Number:
AG01A8ZI
Chemical Name:
1-methyl-5-(morpholin-4-yl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde
CAS Number:
1258650-64-4
Molecular Formula:
C12H19N3O2
Molecular Weight:
237.2982
MDL Number:
MFCD17480353
IUPAC Name:
1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H19N3O2/c1-9(2)11-10(8-16)12(14(3)13-11)15-4-6-17-7-5-15/h8-9H,4-7H2,1-3H3
InChI Key:
LMVVEHDNKSMPQX-UHFFFAOYSA-N
SMILES:
O=Cc1c(nn(c1N1CCOCC1)C)C(C)C
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.148g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.303g/mol
Monoisotopic Mass:
237.148g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties