Methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate - CAS 192701-83-0
Catalog: |
BB014898 |
Product Name: |
Methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate |
CAS: |
192701-83-0 |
Synonyms: |
methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate |
IUPAC Name: | methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate |
Description: | Methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate (CAS# 192701-83-0) is a useful research chemical. |
Molecular Weight: | 232.24 |
Molecular Formula: | C12H12N2O3 |
Canonical SMILES: | COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OC |
InChI: | InChI=1S/C12H12N2O3/c1-16-9-5-3-8(4-6-9)10-7-11(14-13-10)12(15)17-2/h3-7H,1-2H3,(H,13,14) |
InChI Key: | FJNMXQMHEIWMQI-UHFFFAOYSA-N |
Boiling Point: | 451.9 ℃ at 760 mmHg |
Density: | 1.234 g/cm3 |
MDL: | MFCD05668058 |
LogP: | 1.87190 |
Publication Number | Title | Priority Date |
WO-2010046780-A2 | Anti viral compounds | 20081022 |
AU-2009249180-A1 | Intestinal Alkaline Phosphatase modulators and uses thereof | 20080519 |
CA-2723424-A1 | Intestinal alkaline phosphatase modulators and uses thereof | 20080519 |
EP-2291372-A2 | Intestinal alkaline phosphatase modulators and uses thereof | 20080519 |
JP-2011521916-A | Intestinal alkaline phosphatase modulator and uses thereof | 20080519 |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.08479225 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.08479225 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 64.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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