5-Cyclopropyl-2-ethylpyrazole-3-carboxylic acid - CAS 1170123-76-8
Catalog: |
BB042832 |
Product Name: |
5-Cyclopropyl-2-ethylpyrazole-3-carboxylic acid |
CAS: |
1170123-76-8 |
Synonyms: |
3-Cyclopropyl-1-ethyl-1H-pyrazole-5-carboxylic acid; 5-Cyclopropyl-2-ethyl-2H-pyrazole-3-carboxylic acid; 3-Cyclopropyl-1-ethylpyrazole-5-carboxylic acid; SCHEMBL16418231 |
IUPAC Name: | 5-cyclopropyl-2-ethylpyrazole-3-carboxylic acid |
Description: | 5-Cyclopropyl-2-ethylpyrazole-3-carboxylic acid (CAS# 1170123-76-8 ) is a useful research chemical. |
Molecular Weight: | 180.20 |
Molecular Formula: | C9H12N2O2 |
Canonical SMILES: | CCN1C(=CC(=N1)C2CC2)C(=O)O |
InChI: | InChI=1S/C9H12N2O2/c1-2-11-8(9(12)13)5-7(10-11)6-3-4-6/h5-6H,2-4H2,1H3,(H,12,13) |
InChI Key: | BZNYNHBRKZQZHZ-UHFFFAOYSA-N |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.08987763 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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