7-Thiophen-2-yl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid - CAS 676247-93-1
Catalog: |
BB049178 |
Product Name: |
7-Thiophen-2-yl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid |
CAS: |
676247-93-1 |
Synonyms: |
7-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid; 7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid; 7-thien-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid |
IUPAC Name: | 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid |
Description: | 7-Thiophen-2-yl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CAS# 676247-93-1 ) is a useful research chemical. |
Molecular Weight: | 245.26 |
Molecular Formula: | C11H7N3O2S |
Canonical SMILES: | C1=CSC(=C1)C2=CC=NC3=C(C=NN23)C(=O)O |
InChI: | InChI=1S/C11H7N3O2S/c15-11(16)7-6-13-14-8(3-4-12-10(7)14)9-2-1-5-17-9/h1-6H,(H,15,16) |
InChI Key: | OURWKHLDAVYMGO-UHFFFAOYSA-N |
Melting Point: | 270-271 °C |
Purity: | > 95 % |
Density: | 1.59±0.1 g/cm3(Predicted) |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.02589765 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.02589765 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 95.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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