1H-Pyrazole-3-carboxylic acid - CAS 1621-91-6
Catalog: |
BB011847 |
Product Name: |
1H-Pyrazole-3-carboxylic acid |
CAS: |
1621-91-6 |
Synonyms: |
1H-pyrazole-5-carboxylic acid |
IUPAC Name: | 1H-pyrazole-5-carboxylic acid |
Description: | 1H-Pyrazole-3-carboxylic acid (CAS# 1621-91-6) is a histone lysine demethylase KDM4C and proline racemase inhibitor. |
Molecular Weight: | 112.09 |
Molecular Formula: | C4H4N2O2 |
Canonical SMILES: | C1=C(NN=C1)C(=O)O |
InChI: | InChI=1S/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8) |
InChI Key: | KOPFEFZSAMLEHK-UHFFFAOYSA-N |
Boiling Point: | 417.1 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.524 g/cm3 |
MDL: | MFCD00077436 |
LogP: | 0.10790 |
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 |
US-2016096827-A1 | Tank-binding kinase inhibitor compounds | 20140926 |
WO-2015197188-A1 | Pyrazolyl-based carboxamides as crac inhibitors | 20140624 |
WO-2015189138-A1 | Process for preparing 3,5-bis(haloalkyl)pyrazoles via acylation of ketimines | 20140611 |
WO-2015186056-A1 | Pyrazole compounds and their use as t-type calcium channel blockers | 20140603 |
US-2015329533-A1 | Compounds capable of inhibiting voltage gated calcium ion channel, and pharmaceutical compositions comprising the same | 20140515 |
PMID | Publication Date | Title | Journal |
24681068 | 20140506 | Synthesis, structure-activity relationships, and in vitro antibacterial and antifungal activity evaluations of novel pyrazole carboxylic and dicarboxylic acid derivatives | European journal of medicinal chemistry |
22917519 | 20120915 | Inhibitor scaffold for the histone lysine demethylase KDM4C (JMJD2C) | Bioorganic & medicinal chemistry letters |
22431445 | 20120901 | Metal-ion permeation in congested nanochannels: the exposure effect of Ag+ ions on the phosphorescent properties of a gold(I)-pyrazolate complex that is confined in the nanoscopic channels of mesoporous silica | Chemistry, an Asian journal |
22669223 | 20120711 | Selective total encapsulation of the sulfate anion by neutral nano-jars | Chemical communications (Cambridge, England) |
22658862 | 20120701 | Discovery of pyrazole carboxylic acids as potent inhibitors of rat long chain L-2-hydroxy acid oxidase | Bioorganic & medicinal chemistry letters |
Complexity: | 104 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.027277375 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.027277375 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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