1-methyl-3-nitro-1H-pyrazole-5-carboxamide - CAS 1245772-60-4
Catalog: |
BB051745 |
Product Name: |
1-methyl-3-nitro-1H-pyrazole-5-carboxamide |
CAS: |
1245772-60-4 |
Synonyms: |
1-methyl-3-nitropyrazole-5-carboxamide |
IUPAC Name: | 2-methyl-5-nitropyrazole-3-carboxamide |
Molecular Weight: | 170.13 |
Molecular Formula: | C5H6N4O3 |
Canonical SMILES: | CN1C(=CC(=N1)[N+](=O)[O-])C(=O)N |
InChI: | InChI=1S/C5H6N4O3/c1-8-3(5(6)10)2-4(7-8)9(11)12/h2H,1H3,(H2,6,10) |
InChI Key: | KAXXUUUYVUKDKF-UHFFFAOYSA-N |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.04399007 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.04399007 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 107 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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