1-Methyl-3-nitro-1H-pyrazole-5-carbonitrile - CAS 1245771-75-8
Catalog: |
BB051755 |
Product Name: |
1-Methyl-3-nitro-1H-pyrazole-5-carbonitrile |
CAS: |
1245771-75-8 |
Synonyms: |
1-methyl-3-nitropyrazole-5-carbonitrile |
IUPAC Name: | 2-methyl-5-nitropyrazole-3-carbonitrile |
Molecular Weight: | 152.11 |
Molecular Formula: | C5H4N4O2 |
Canonical SMILES: | CN1C(=CC(=N1)[N+](=O)[O-])C#N |
InChI: | InChI=1S/C5H4N4O2/c1-8-4(3-6)2-5(7-8)9(10)11/h2H,1H3 |
InChI Key: | NROJKIMPBOEHMA-UHFFFAOYSA-N |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.03342538 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.03342538 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 87.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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Nitrogen Compounds
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Oxygen Compounds
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3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
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[1328640-88-5]
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole
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