5-[(3-Aminopyrazol-1-yl)methyl]thiophene-2-carboxylic acid - CAS 1245806-66-9
Catalog: |
BB042981 |
Product Name: |
5-[(3-Aminopyrazol-1-yl)methyl]thiophene-2-carboxylic acid |
CAS: |
1245806-66-9 |
Synonyms: |
5-[(3-Amino-1H-pyrazol-1-yl)methyl]thiophene-2-carboxylic acid; 5-[(3-Aminopyrazolyl)methyl]thiophene-2-carboxylic acid; SBB046383; STL414720 |
IUPAC Name: | 5-[(3-aminopyrazol-1-yl)methyl]thiophene-2-carboxylic acid |
Description: | 5-[(3-Aminopyrazol-1-yl)methyl]thiophene-2-carboxylic acid (CAS# 1245806-66-9 ) is a useful research chemical. |
Molecular Weight: | 223.25 |
Molecular Formula: | C9H9N3O2S |
Canonical SMILES: | C1=CN(N=C1N)CC2=CC=C(S2)C(=O)O |
InChI: | InChI=1S/C9H9N3O2S/c10-8-3-4-12(11-8)5-6-1-2-7(15-6)9(13)14/h1-4H,5H2,(H2,10,11)(H,13,14) |
InChI Key: | WPVCYYNKQNTQKQ-UHFFFAOYSA-N |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.04154771 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.04154771 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 109 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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