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Home > Nitro Compounds > 139756-18-6
139756-18-6 | 1H-Pyrazole-5-carboxamide, 1-ethyl-4-nitro-3-propyl-
CAS No: 139756-18-6 Catalog No: AG001BNT MDL No:
Product Description
Catalog Number:
AG001BNT
Chemical Name:
1H-Pyrazole-5-carboxamide, 1-ethyl-4-nitro-3-propyl-
CAS Number:
139756-18-6
Molecular Formula:
C9H14N4O3
Molecular Weight:
226.2325
IUPAC Name:
2-ethyl-4-nitro-5-propylpyrazole-3-carboxamide
InChI:
InChI=1S/C9H14N4O3/c1-3-5-6-7(13(15)16)8(9(10)14)12(4-2)11-6/h3-5H2,1-2H3,(H2,10,14)
InChI Key:
ABZSPGKMASSWJJ-UHFFFAOYSA-N
SMILES:
CCCc1nn(c(c1[N+](=O)[O-])C(=O)N)CC
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.107g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.236g/mol
Monoisotopic Mass:
226.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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