5-Methyl-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid - CAS 776332-46-8
Catalog: |
BB048581 |
Product Name: |
5-Methyl-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
CAS: |
776332-46-8 |
Synonyms: |
5-Methyl-7-phenyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid; Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 5-methyl-7-phenyl-; 5-methyl-7-phenyl-8-hydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
IUPAC Name: | 5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
Description: | 5-Methyl-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CAS# 776332-46-8 ) is a useful research chemical. |
Molecular Weight: | 253.26 |
Molecular Formula: | C14H11N3O2 |
Canonical SMILES: | CC1=NC2=CC(=NN2C(=C1)C3=CC=CC=C3)C(=O)O |
InChI: | InChI=1S/C14H11N3O2/c1-9-7-12(10-5-3-2-4-6-10)17-13(15-9)8-11(16-17)14(18)19/h2-8H,1H3,(H,18,19) |
InChI Key: | SLTONGCIJKMKGF-UHFFFAOYSA-N |
Purity: | ≥ 95 % |
Density: | 1.4±0.1 g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 344 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.085126602 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.085126602 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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