1,5-dimethyl-1H-pyrazole-4-carboxylic acid - CAS 31728-75-3
Catalog: |
BB021038 |
Product Name: |
1,5-dimethyl-1H-pyrazole-4-carboxylic acid |
CAS: |
31728-75-3 |
Synonyms: |
1,5-dimethyl-4-pyrazolecarboxylic acid; 1,5-dimethylpyrazole-4-carboxylic acid |
IUPAC Name: | 1,5-dimethylpyrazole-4-carboxylic acid |
Description: | 1,5-dimethyl-1H-pyrazole-4-carboxylic acid (CAS# 31728-75-3) is a useful research chemical. |
Molecular Weight: | 140.14 |
Molecular Formula: | C6H8N2O2 |
Canonical SMILES: | CC1=C(C=NN1C)C(=O)O |
InChI: | InChI=1S/C6H8N2O2/c1-4-5(6(9)10)3-7-8(4)2/h3H,1-2H3,(H,9,10) |
InChI Key: | SKTIXLZNJZTGRT-UHFFFAOYSA-N |
Boiling Point: | 299.2 ℃ at 760 mmHg |
Density: | 1.28 g/cm3 |
Solubility: | Slightly soluble in water. |
Appearance: | White to yellow solid |
MDL: | MFCD02090876 |
LogP: | 0.42670 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3822268-A1 | Substituted hydantoinamides as adamts7 antagonists | 20191115 |
WO-2021094436-A1 | Substituted hydantoinamides as adamts7 antagonists | 20191115 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
US-2020102311-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
PMID | Publication Date | Title | Journal |
22917519 | 20120915 | Inhibitor scaffold for the histone lysine demethylase KDM4C (JMJD2C) | Bioorganic & medicinal chemistry letters |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.058577502 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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