3-(ethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid - CAS 1429419-20-4
Catalog: |
BB052294 |
Product Name: |
3-(ethylcarbamoyl)-1-methyl-1H-pyrazole-5-carboxylic acid |
CAS: |
1429419-20-4 |
Synonyms: |
3-[(ethylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid |
IUPAC Name: | 5-(ethylcarbamoyl)-2-methylpyrazole-3-carboxylic acid |
Molecular Weight: | 197.19 |
Molecular Formula: | C8H11N3O3 |
Canonical SMILES: | CCNC(=O)C1=NN(C(=C1)C(=O)O)C |
InChI: | InChI=1S/C8H11N3O3/c1-3-9-7(12)5-4-6(8(13)14)11(2)10-5/h4H,3H2,1-2H3,(H,9,12)(H,13,14) |
InChI Key: | VEMBHUNAZCSVPV-UHFFFAOYSA-N |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.08004122 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.08004122 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 84.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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