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147011-85-6 | 1H-Pyrazole-3,5-dicarboxamide, N3,N5-dibutyl-
CAS No: 147011-85-6 Catalog No: AG001EIJ MDL No:
Product Description
Catalog Number:
AG001EIJ
Chemical Name:
1H-Pyrazole-3,5-dicarboxamide, N3,N5-dibutyl-
CAS Number:
147011-85-6
Molecular Formula:
C13H22N4O2
Molecular Weight:
266.3394
IUPAC Name:
3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide
InChI:
InChI=1S/C13H22N4O2/c1-3-5-7-14-12(18)10-9-11(17-16-10)13(19)15-8-6-4-2/h9H,3-8H2,1-2H3,(H,14,18)(H,15,19)(H,16,17)
InChI Key:
IJSWPBVTZBWCES-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1[nH]nc(c1)C(=O)NCCCC
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.174g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
266.345g/mol
Monoisotopic Mass:
266.174g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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