5-(4-Methylphenyl)-1H-pyrazole-3-carboxylic acid - CAS 46413-67-6
Catalog: |
BB026131 |
Product Name: |
5-(4-Methylphenyl)-1H-pyrazole-3-carboxylic acid |
CAS: |
46413-67-6 |
Synonyms: |
3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid; 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid |
IUPAC Name: | 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid |
Description: | 5-(4-Methylphenyl)-1H-pyrazole-3-carboxylic acid (CAS# 46413-67-6) is a useful research chemical. |
Molecular Weight: | 202.21 |
Molecular Formula: | C11H10N2O2 |
Canonical SMILES: | CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)O |
InChI: | InChI=1S/C11H10N2O2/c1-7-2-4-8(5-3-7)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15) |
InChI Key: | BGTWUOQARPOYER-UHFFFAOYSA-N |
LogP: | 2.08330 |
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 |
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PMID | Publication Date | Title | Journal |
12930155 | 20030828 | Pyrazole derivatives as partial agonists for the nicotinic acid receptor | Journal of medicinal chemistry |
Complexity: | 237 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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