1-Methyl-1H-pyrazole-4-carboxylic acid - CAS 5952-92-1
Catalog: |
BB030412 |
Product Name: |
1-Methyl-1H-pyrazole-4-carboxylic acid |
CAS: |
5952-92-1 |
Synonyms: |
1-methylpyrazole-4-carboxylic acid |
IUPAC Name: | 1-methylpyrazole-4-carboxylic acid |
Description: | 1-Methyl-1H-pyrazole-4-carboxylic acid (CAS# 5952-92-1) is a useful research chemical. |
Molecular Weight: | 126.11 |
Molecular Formula: | C5H6N2O2 |
Canonical SMILES: | CN1C=C(C=N1)C(=O)O |
InChI: | InChI=1S/C5H6N2O2/c1-7-3-4(2-6-7)5(8)9/h2-3H,1H3,(H,8,9) |
InChI Key: | UPPPWUOZCSMDTR-UHFFFAOYSA-N |
Boiling Point: | 306.9 ℃ at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.34 g/cm3 |
MDL: | MFCD00159641 |
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 |
KR-20200021494-A | Novel nucleoside or nucleotide derivatives, and use thereof | 20200220 |
KR-102145025-B1 | Novel nucleoside or nucleotide derivatives, and use thereof | 20200220 |
CN-113121509-A | JAK inhibitor compounds and uses thereof | 20191230 |
WO-2021136345-A1 | Jak inhibitor compound and use thereof | 20191230 |
WO-2021119081-A1 | Hepatitis b capsid assembly modulators | 20191210 |
PMID | Publication Date | Title | Journal |
17588745 | 20070901 | Agonist lead identification for the high affinity niacin receptor GPR109a | Bioorganic & medicinal chemistry letters |
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: | -0.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Pyrazoles
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS