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Home > Nitro Compounds > 115869-56-2
115869-56-2 | 1H-Pyrazole-3-carboxamide, 5-methyl-4-nitro-N-2-pyridinyl-
CAS No: 115869-56-2 Catalog No: AG000GZB MDL No:
Product Description
Catalog Number:
AG000GZB
Chemical Name:
1H-Pyrazole-3-carboxamide, 5-methyl-4-nitro-N-2-pyridinyl-
CAS Number:
115869-56-2
Molecular Formula:
C10H9N5O3
Molecular Weight:
247.2102
IUPAC Name:
5-methyl-4-nitro-N-pyridin-2-yl-1H-pyrazole-3-carboxamide
InChI:
InChI=1S/C10H9N5O3/c1-6-9(15(17)18)8(14-13-6)10(16)12-7-4-2-3-5-11-7/h2-5H,1H3,(H,13,14)(H,11,12,16)
InChI Key:
AHIIYYKZXWXLFP-UHFFFAOYSA-N
SMILES:
O=C(c1n[nH]c(c1[N+](=O)[O-])C)Nc1ccccn1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.214g/mol
Monoisotopic Mass:
247.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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