3-(Diethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid - CAS 1004727-28-9
Catalog: |
BB048624 |
Product Name: |
3-(Diethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid |
CAS: |
1004727-28-9 |
Synonyms: |
5-Diethylcarbamoyl-2-methyl-2H-pyrazole-3-carboxylic acid; 3-[(diethylamino)carbonyl]-1-methyl-1H-Pyrazole-5-carboxylic acid; 3-(N,N-diethylcarbamoyl)-1-methylpyrazole-5-carboxylic acid |
IUPAC Name: | 5-(diethylcarbamoyl)-2-methylpyrazole-3-carboxylic acid |
Description: | 3-(Diethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid (CAS# 1004727-28-9 ) is a useful research chemical. |
Molecular Weight: | 225.24 |
Molecular Formula: | C10H15N3O3 |
Canonical SMILES: | CCN(CC)C(=O)C1=NN(C(=C1)C(=O)O)C |
InChI: | InChI=1S/C10H15N3O3/c1-4-13(5-2)9(14)7-6-8(10(15)16)12(3)11-7/h6H,4-5H2,1-3H3,(H,15,16) |
InChI Key: | PZTDZSXJNQXZQC-UHFFFAOYSA-N |
Boiling Point: | 455.9±30.0 °C (Predicted) |
Purity: | ≥ 95 % |
Density: | 1.24±0.1 g/cm3 (Predicted) |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.11134135 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.11134135 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 75.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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