5-Methyl-1H-pyrazole-3-carboxylic acid - CAS 402-61-9
Catalog: |
BB024404 |
Product Name: |
5-Methyl-1H-pyrazole-3-carboxylic acid |
CAS: |
402-61-9 |
Synonyms: |
5-methyl-1H-pyrazole-3-carboxylic acid |
IUPAC Name: | 5-methyl-1H-pyrazole-3-carboxylic acid |
Description: | 5-Methyl-1H-pyrazole-3-carboxylic acid (CAS# 402-61-9) is a useful research chemical. |
Molecular Weight: | 126.11 |
Molecular Formula: | C5H6N2O2 |
Canonical SMILES: | CC1=CC(=NN1)C(=O)O |
InChI: | InChI=1S/C5H6N2O2/c1-3-2-4(5(8)9)7-6-3/h2H,1H3,(H,6,7)(H,8,9) |
InChI Key: | WSMQKESQZFQMFW-UHFFFAOYSA-N |
Boiling Point: | 388.8 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.404 g/cm3 |
MDL: | MFCD00090754 |
LogP: | 0.41630 |
GHS Hazard Statement: | H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22884931 | 20120920 | Alterations in extracellular tryptophan and dopamine concentrations in rat striatum following peripheral administration of D- and L-tryptophan: an in vivo microdialysis study | Neuroscience letters |
22345871 | 20120101 | Dose escalation pharmacokinetics and lipid lowering activity of a novel farnesoid X receptor modulator: 16-Dehydropregnenolone | Indian journal of pharmacology |
21388898 | 20111101 | Fluorescence determination of D- and L-tryptophan concentrations in rat plasma following administration of tryptophan enantiomers using HPLC with pre-column derivatization | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
20952482 | 20110101 | A series of D-amino acid oxidase inhibitors specifically prevents and reverses formalin-induced tonic pain in rats | The Journal of pharmacology and experimental therapeutics |
21433090 | 20110101 | Comparative study on kynurenic acid production in the rat striatum by tryptophan enantiomers: an in vivo microdialysis study | Chirality |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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