3-(4-Methoxyphenyl)-1H-pyrazole-5-carboxylic acid - CAS 27069-16-5
Catalog: |
BB019458 |
Product Name: |
3-(4-Methoxyphenyl)-1H-pyrazole-5-carboxylic acid |
CAS: |
27069-16-5 |
Synonyms: |
1H-Pyrazole-3-carboxylic acid, 5-(4-methoxyphenyl)-; 5-(4-Methoxyphenyl)-1H-pyrazole-3-carboxylic acid; Pyrazole-3-carboxylic acid, 5-(p-methoxyphenyl)-; 3-(4-Methoxyphenyl)pyrazole-5-carboxylic acid; 5-(4-Methoxyphenyl)-1H-pyrazole-3-carboxylate; 5-(4-Methoxyphenyl)pyrazole-3-carboxylic acid |
Related CAS: | 182415-20-9 (Deleted CAS) 887408-66-4 (Deleted CAS) 890006-68-5 (Deleted CAS) 1048924-77-1 (Deleted CAS) 1316754-34-3 (Deleted CAS) 2098545-45-8 (Deleted CAS)
|
IUPAC Name: | 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid |
Molecular Weight: | 218.21 |
Molecular Formula: | C11H10N2O3 |
Canonical SMILES: | COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)O |
InChI: | InChI=1S/C11H10N2O3/c1-16-8-4-2-7(3-5-8)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15) |
InChI Key: | VHWPBROOEIJLIW-UHFFFAOYSA-N |
Boiling Point: | 516.9±45.0°C at 760 mmHg |
Melting Point: | 226-228°C (dec.) |
Purity: | ≥95% |
Density: | 1.340±0.06 g/cm3 |
Solubility: | Soluble in Ethyl Acetate, Hexane |
Appearance: | White Amorphous Powder |
Storage: | Store at 2-8°C |
MDL: | MFCD03030168 |
LogP: | 1.78350 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3380455-A1 | Trypanosomes inhibitors | 20151126 |
JP-2019500330-A | Trypanosoma inhibitor | 20151126 |
US-10377719-B2 | Trypanosomes inhibitors | 20151126 |
US-2018222866-A1 | Trypanosomes inhibitors | 20151126 |
WO-2017089389-A1 | Trypanosomes inhibitors | 20151126 |
PMID | Publication Date | Title | Journal |
21200474 | 20071206 | Poly[methano-ltetra-kis[μ(3)-5-(4-methoxy-phen-yl)pyrazole-3-carboxyl-ato(2-)]tri-copper(II)disodium(I) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.06914219 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 75.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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