1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid - CAS 288251-63-8
Catalog: |
BB019978 |
Product Name: |
1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid |
CAS: |
288251-63-8 |
Synonyms: |
1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolecarboxylic acid; 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid |
IUPAC Name: | 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid |
Description: | 1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid (CAS# 288251-63-8) is a useful research chemical. |
Molecular Weight: | 234.23 |
Molecular Formula: | C12H11FN2O2 |
Canonical SMILES: | CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)O |
InChI: | InChI=1S/C12H11FN2O2/c1-7-11(12(16)17)8(2)15(14-7)10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,16,17) |
InChI Key: | NKCDCNWWMFTZPW-UHFFFAOYSA-N |
MDL: | MFCD02083021 |
LogP: | 2.32640 |
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 |
Publication Number | Title | Priority Date |
US-10344026-B2 | Compositions and methods of targeting mutant K-ras | 20170118 |
US-2018201610-A1 | Compositions and methods of targeting mutant k-ras | 20170118 |
KR-20150002661-A | Amidopyridine derivative, and use thereof | 20120413 |
US-2013012715-A1 | Pyrazole synthesis by coupling of carboxylic acid derivatives and enamines | 20100329 |
US-8716485-B2 | Pyrazole synthesis by coupling of carboxylic acid derivatives and enamines | 20100329 |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.08045576 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.08045576 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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