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2059994-69-1 | 3-methyl-1-(2-methylpropyl)-5-(morpholin-4-yl)-1H-pyrazole-4-carbaldehyde
CAS No: 2059994-69-1 Catalog No: AG01A8ZL MDL No:MFCD30344718
Product Description
Catalog Number:
AG01A8ZL
Chemical Name:
3-methyl-1-(2-methylpropyl)-5-(morpholin-4-yl)-1H-pyrazole-4-carbaldehyde
CAS Number:
2059994-69-1
Molecular Formula:
C13H21N3O2
Molecular Weight:
251.3247
MDL Number:
MFCD30344718
IUPAC Name:
3-methyl-1-(2-methylpropyl)-5-morpholin-4-ylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C13H21N3O2/c1-10(2)8-16-13(12(9-17)11(3)14-16)15-4-6-18-7-5-15/h9-10H,4-8H2,1-3H3
InChI Key:
VWIFPBDRHKJHRJ-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1N1CCOCC1)CC(C)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.33g/mol
Monoisotopic Mass:
251.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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