1-Methyl-1H-pyrazole-5-carboxylic acid - CAS 16034-46-1
Catalog: |
BB011623 |
Product Name: |
1-Methyl-1H-pyrazole-5-carboxylic acid |
CAS: |
16034-46-1 |
Synonyms: |
2-methylpyrazole-3-carboxylic acid |
IUPAC Name: | 2-methylpyrazole-3-carboxylic acid |
Description: | 1-Methyl-1H-pyrazole-5-carboxylic acid (CAS# 16034-46-1) is a useful research chemical. |
Molecular Weight: | 126.11 |
Molecular Formula: | C5H6N2O2 |
Canonical SMILES: | CN1C(=CC=N1)C(=O)O |
InChI: | InChI=1S/C5H6N2O2/c1-7-4(5(8)9)2-3-6-7/h2-3H,1H3,(H,8,9) |
InChI Key: | JREJQAWGQCMSIY-UHFFFAOYSA-N |
Boiling Point: | 306.9 ℃ at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.34 g/cm3 |
MDL: | MFCD00464253 |
LogP: | 0.11830 |
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 |
WO-2021204800-A1 | Difluorocyclohexyl derivatives as il-17 modulators | 20200407 |
WO-2021204801-A1 | Difluorocyclohexyl derivatives as il-17 modulators | 20200407 |
WO-2021154902-A1 | Collagen 1 translation inhibitors and methods of use thereof | 20200130 |
WO-2021119081-A1 | Hepatitis b capsid assembly modulators | 20191210 |
CN-112824398-A | Immunomodulator | 20191120 |
PMID | Publication Date | Title | Journal |
21600206 | 20110701 | Aryl hydrocarbon receptor-induced signals up-regulate IL-22 production and inhibit inflammation in the gastrointestinal tract | Gastroenterology |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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Carbonyl Compounds
Pyrazoles
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