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1397683-79-2 | 1H-Pyrazole-3,5-dicarboxaMide
CAS No: 1397683-79-2 Catalog No: AG001BOA MDL No:MFCD24645956
Product Description
Catalog Number:
AG001BOA
Chemical Name:
1H-Pyrazole-3,5-dicarboxaMide
CAS Number:
1397683-79-2
Molecular Formula:
C5H6N4O2
Molecular Weight:
154.1267
MDL Number:
MFCD24645956
IUPAC Name:
1H-pyrazole-3,5-dicarboxamide
InChI:
InChI=1S/C5H6N4O2/c6-4(10)2-1-3(5(7)11)9-8-2/h1H,(H2,6,10)(H2,7,11)(H,8,9)
InChI Key:
ZVXTUAKXYXKULZ-UHFFFAOYSA-N
SMILES:
NC(=O)c1[nH]nc(c1)C(=O)N
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.049g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
154.129g/mol
Monoisotopic Mass:
154.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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