1-Methyl-3-phenyl-1H-pyrazole-5-carboxylic acid - CAS 10250-64-3
Catalog: |
BB000872 |
Product Name: |
1-Methyl-3-phenyl-1H-pyrazole-5-carboxylic acid |
CAS: |
10250-64-3 |
Synonyms: |
2-methyl-5-phenyl-3-pyrazolecarboxylic acid; 2-methyl-5-phenylpyrazole-3-carboxylic acid |
IUPAC Name: | 2-methyl-5-phenylpyrazole-3-carboxylic acid |
Description: | 1-Methyl-3-phenyl-1H-pyrazole-5-carboxylic acid (CAS# 10250-64-3) is a useful research chemical. |
Molecular Weight: | 202.21 |
Molecular Formula: | C11H10N2O2 |
Canonical SMILES: | CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)O |
InChI: | InChI=1S/C11H10N2O2/c1-13-10(11(14)15)7-9(12-13)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15) |
InChI Key: | RTBQZMPYPFQBHA-UHFFFAOYSA-N |
Boiling Point: | 419.6 °C at 760 mmHg |
Melting Point: | 186 °C |
Purity: | 95 % |
Density: | 1.24 g/cm3 |
Appearance: | Solid |
LogP: | 1.78530 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020227101-A1 | Kcnt1 inhibitors and methods of use | 20190503 |
JP-2019131544-A | Nitrogen-containing heterocyclic amide compound and pharmaceutical use thereof | 20180201 |
TW-201934553-A | Nitrogen-containing heterocyclic guanamine compound and its medical use | 20180201 |
US-2020017505-A1 | Nitrogen-containing heterocyclic amide compound and pharmaceutical use thereof | 20180201 |
WO-2019151274-A1 | Nitrogenated heterocyclic amide compound, and use thereof for medical purposes | 20180201 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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