5-phenyl-4H-pyrazole-3-carboxylic acid - CAS 5071-61-4
Catalog: |
BB027194 |
Product Name: |
5-phenyl-4H-pyrazole-3-carboxylic acid |
CAS: |
5071-61-4 |
Synonyms: |
3-phenyl-1H-pyrazole-5-carboxylic acid; 3-phenyl-1H-pyrazole-5-carboxylic acid |
IUPAC Name: | 3-phenyl-1H-pyrazole-5-carboxylic acid |
Description: | 5-phenyl-4H-pyrazole-3-carboxylic acid (CAS# 5071-61-4) is a useful research chemical. |
Molecular Weight: | 188.18 |
Molecular Formula: | C10H8N2O2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=NNC(=C2)C(=O)O |
InChI: | InChI=1S/C10H8N2O2/c13-10(14)9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14) |
InChI Key: | QBPUOAJBMXXBNU-UHFFFAOYSA-N |
Boiling Point: | 496.5 °C at 760 mmHg |
Density: | 1.355 g/cm3 |
LogP: | 0.19120 |
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 |
WO-2021188907-A1 | Pyridinesulfonamide derivatives as trap1 modulators and uses thereof | 20200320 |
WO-2020165742-A1 | Novel triterpenone derivatives as hiv inhibitors | 20190211 |
WO-2020012427-A1 | Compounds and compositions for the treatment of cystic fibrosis | 20180713 |
CA-3106438-A1 | Compounds and compositions for the treatment of cystic fibrosis | 20180713 |
EP-3820867-A1 | Compounds and compositions for the treatment of cystic fibrosis | 20180713 |
PMID | Publication Date | Title | Journal |
17588745 | 20070901 | Agonist lead identification for the high affinity niacin receptor GPR109a | Bioorganic & medicinal chemistry letters |
12930155 | 20030828 | Pyrazole derivatives as partial agonists for the nicotinic acid receptor | Journal of medicinal chemistry |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.058577502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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