3-Nitro-1H-pyrazole-4-carboxamide - CAS 39205-91-9
Catalog: |
BB051918 |
Product Name: |
3-Nitro-1H-pyrazole-4-carboxamide |
CAS: |
39205-91-9 |
Synonyms: |
3-nitro-4-pyrazolecarboxamide; 3-nitropyrazole-4-carboxamide |
IUPAC Name: | 5-nitro-1H-pyrazole-4-carboxamide |
Molecular Weight: | 156.10 |
Molecular Formula: | C4H4N4O3 |
Canonical SMILES: | C1=NNC(=C1C(=O)N)[N+](=O)[O-] |
InChI: | InChI=1S/C4H4N4O3/c5-3(9)2-1-6-7-4(2)8(10)11/h1H,(H2,5,9)(H,6,7) |
InChI Key: | MCOJDENHMYYSQV-UHFFFAOYSA-N |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.02834 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.02834 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 118 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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