3-Carbamoyl-1-methyl-1H-pyrazole-5-carboxylic acid - CAS 512807-45-3
Catalog: |
BB052296 |
Product Name: |
3-Carbamoyl-1-methyl-1H-pyrazole-5-carboxylic acid |
CAS: |
512807-45-3 |
Synonyms: |
3-(aminocarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid; 1H-Pyrazole-5-carboxylic acid, 3-(aminocarbonyl)-1-methyl-(9CI) |
IUPAC Name: | 5-carbamoyl-2-methylpyrazole-3-carboxylic acid |
Molecular Weight: | 169.14 |
Molecular Formula: | C6H7N3O3 |
Canonical SMILES: | CN1C(=CC(=N1)C(=O)N)C(=O)O |
InChI: | InChI=1S/C6H7N3O3/c1-9-4(6(11)12)2-3(8-9)5(7)10/h2H,1H3,(H2,7,10)(H,11,12) |
InChI Key: | LPEAIAYKERHVAW-UHFFFAOYSA-N |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.04874109 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.04874109 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 98.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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Related Functional Groups
Amines and Anilines
Carbonyl Compounds
Oxygen Compounds
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