5-(2-Naphthyl)-1H-pyrazole-3-carboxylic Acid - CAS 164295-94-7
Catalog: |
BB012090 |
Product Name: |
5-(2-Naphthyl)-1H-pyrazole-3-carboxylic Acid |
CAS: |
164295-94-7 |
Synonyms: |
3-(2-naphthalenyl)-1H-pyrazole-5-carboxylic acid; 3-naphthalen-2-yl-1H-pyrazole-5-carboxylic acid |
IUPAC Name: | 3-naphthalen-2-yl-1H-pyrazole-5-carboxylic acid |
Description: | 5-(2-Naphthyl)-1H-pyrazole-3-carboxylic Acid (CAS# 164295-94-7) is a useful research chemical. |
Molecular Weight: | 238.24 |
Molecular Formula: | C14H10N2O2 |
Canonical SMILES: | C1=CC=C2C=C(C=CC2=C1)C3=NNC(=C3)C(=O)O |
InChI: | InChI=1S/C14H10N2O2/c17-14(18)13-8-12(15-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,15,16)(H,17,18) |
InChI Key: | JQMUXXNJOLCBJJ-UHFFFAOYSA-N |
Boiling Point: | 558.8 °C at 760 mmHg |
Density: | 1.377 g/cm3 |
Appearance: | Solid |
MDL: | MFCD05170121 |
LogP: | 2.92810 |
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 |
TW-201740927-A | Sphingosine kinase inhibitors and neuropterin for maintenance therapy of glioblastoma | 20160302 |
WO-2017151360-A1 | Sphingosine kinase inhibitors and ceramide for maintenance therapy of glioblastoma | 20160302 |
US-2015126564-A1 | Modulation of sphingosine 1-phosphate metabolizing enzymes for the treatment of negative-strand rna virus infections | 20110601 |
US-9687477-B2 | Modulation of sphingosine 1-phosphate metabolizing enzymes for the treatment of negative-strand RNA virus infections | 20110601 |
WO-2012166859-A2 | Modulation of sphingosine 1-phosphate metabolizing enzymes for the treatment of negative-strand rna virus infections | 20110601 |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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