Methyl 5-(2,4-Dichlorophenyl)pyrazole-3-carboxylate - CAS 944783-94-2
Catalog: |
BB041337 |
Product Name: |
Methyl 5-(2,4-Dichlorophenyl)pyrazole-3-carboxylate |
CAS: |
944783-94-2 |
Synonyms: |
3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylic acid methyl ester; methyl 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate |
IUPAC Name: | methyl 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate |
Description: | Methyl 5-(2,4-Dichlorophenyl)pyrazole-3-carboxylate (CAS# 944783-94-2) is a useful research chemical. |
Molecular Weight: | 271.10 |
Molecular Formula: | C11H8Cl2N2O2 |
Canonical SMILES: | COC(=O)C1=CC(=NN1)C2=C(C=C(C=C2)Cl)Cl |
InChI: | InChI=1S/C11H8Cl2N2O2/c1-17-11(16)10-5-9(14-15-10)7-3-2-6(12)4-8(7)13/h2-5H,1H3,(H,14,15) |
InChI Key: | KHJJAYIZQBZPRW-UHFFFAOYSA-N |
Appearance: | White powder with lumps |
MDL: | MFCD04969772 |
LogP: | 3.17010 |
Publication Number | Title | Priority Date |
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 |
US-2010016313-A1 | Intestinal alkaline phosphatase modulators and uses thereof | 20080519 |
PMID | Publication Date | Title | Journal |
19038545 | 20090101 | Design and synthesis of pyrazole derivatives as potent and selective inhibitors of tissue-nonspecific alkaline phosphatase (TNAP) | Bioorganic & medicinal chemistry letters |
Complexity: | 291 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.9962829 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.9962829 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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