Methyl 4-Methyl-1H-pyrazole-3-carboxylate - CAS 68809-58-5
Catalog: |
BB033634 |
Product Name: |
Methyl 4-Methyl-1H-pyrazole-3-carboxylate |
CAS: |
68809-58-5 |
Synonyms: |
4-methyl-1H-pyrazole-5-carboxylic acid methyl ester; methyl 4-methyl-1H-pyrazole-5-carboxylate |
IUPAC Name: | methyl 4-methyl-1H-pyrazole-5-carboxylate |
Description: | Methyl 4-Methyl-1H-pyrazole-3-carboxylate (CAS# 68809-58-5) is a useful research chemical. |
Molecular Weight: | 140.14 |
Molecular Formula: | C6H8N2O2 |
Canonical SMILES: | CC1=C(NN=C1)C(=O)OC |
InChI: | InChI=1S/C6H8N2O2/c1-4-3-7-8-5(4)6(9)10-2/h3H,1-2H3,(H,7,8) |
InChI Key: | IFXPRADXZJOPEQ-UHFFFAOYSA-N |
LogP: | 0.50470 |
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-2019284179-A1 | Oxadiazole transient receptor potential channel inhibitors | 20180319 |
WO-2019182925-A1 | Oxadiazole transient receptor potential channel inhibitors | 20180319 |
US-10710994-B2 | Oxadiazole transient receptor potential channel inhibitors | 20180319 |
US-2020308161-A1 | Oxadiazole transient receptor potential channel inhibitors | 20180319 |
WO-2017064068-A1 | New trpa1 antagonists | 20151014 |
PMID | Publication Date | Title | Journal |
18185857 | 20080128 | New bimetallic complexes of late transition metals involving pyrazole-bridged bis N-heterocyclic carbene ligands | Dalton transactions (Cambridge, England : 2003) |
Complexity: | 138 |
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: | 2 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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