IUPAC Name: | 4-nitro-1H-pyrazole-5-carboxylic acid |
Description: | 4-Nitro-3-pyrazolecarboxylic acid (CAS# 5334-40-7) is a building block used for the synthesis of biologically active compounds. It is an intermediate for the synthesis of pyrazole-benzimidazole derivatives as potent Aurora A/B kinase inhibitors. |
Molecular Weight: | 157.08 |
Molecular Formula: | C4H3N3O4 |
Canonical SMILES: | C1=NNC(=C1[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C4H3N3O4/c8-4(9)3-2(7(10)11)1-5-6-3/h1H,(H,5,6)(H,8,9) |
InChI Key: | ZMAXXOYJWZZQBK-UHFFFAOYSA-N |
Boiling Point: | 360 ℃ |
Density: | 1.84 g/cm3 |
MDL: | MFCD00090899 |
LogP: | 0.53930 |
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Related Functional Groups
Carbonyl Compounds
Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate
Pyrazoles
2-Cyclopentyl-3,4-dimethyl-2H-pyrazolo[3,4-b]pyridin-6(7H)-one
rel-(1R,2S)-2-(1-Methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
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