5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid - CAS 331647-99-5
Catalog: |
BB046909 |
Product Name: |
5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
CAS: |
331647-99-5 |
Synonyms: |
5-methyl-7-trifluoromethylpyrazolo[1,5-a]-pyrimidine-2-carboxylic acid; Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 5-methyl-7-(trifluoromethyl)- |
IUPAC Name: | 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
Description: | 5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CAS# 331647-99-5 ) is a useful research chemical. |
Molecular Weight: | 245.16 |
Molecular Formula: | C9H6F3N3O2 |
Canonical SMILES: | CC1=NC2=CC(=NN2C(=C1)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C9H6F3N3O2/c1-4-2-6(9(10,11)12)15-7(13-4)3-5(14-15)8(16)17/h2-3H,1H3,(H,16,17) |
InChI Key: | UWQIEJSYYZOGBU-UHFFFAOYSA-N |
Purity: | ≥ 95 % |
Density: | 1.65±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: | 323 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.04121093 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.04121093 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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