1,3-Dimethyl-1H-pyrazole-5-carboxylic acid - CAS 5744-56-9
Catalog: |
BB029705 |
Product Name: |
1,3-Dimethyl-1H-pyrazole-5-carboxylic acid |
CAS: |
5744-56-9 |
Synonyms: |
2,5-dimethylpyrazole-3-carboxylic acid |
IUPAC Name: | 2,5-dimethylpyrazole-3-carboxylic acid |
Description: | 1,3-Dimethyl-1H-pyrazole-5-carboxylic acid (CAS# 5744-56-9) is a useful research chemical. |
Molecular Weight: | 140.14 |
Molecular Formula: | C6H8N2O2 |
Canonical SMILES: | CC1=NN(C(=C1)C(=O)O)C |
InChI: | InChI=1S/C6H8N2O2/c1-4-3-5(6(9)10)8(2)7-4/h3H,1-2H3,(H,9,10) |
InChI Key: | QRWZFUBHOQWUGH-UHFFFAOYSA-N |
Boiling Point: | 302.4 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.28 g/cm3 |
MDL: | MFCD00159636 |
LogP: | 0.42670 |
GHS Hazard Statement: | H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113354677-A | Acrylonitrile compound and preparation method and application thereof | 20210120 |
WO-2021154902-A1 | Collagen 1 translation inhibitors and methods of use thereof | 20200130 |
WO-2021130257-A1 | Dihydro-cyclopenta-isoquinoline sulfonamides derivatives | 20191223 |
EP-3822268-A1 | Substituted hydantoinamides as adamts7 antagonists | 20191115 |
WO-2020227101-A1 | Kcnt1 inhibitors and methods of use | 20190503 |
Complexity: | 149 |
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: | 1 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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Related Functional Groups
Carbonyl Compounds
Pyrazoles
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