Methyl 5-(4-Pyridinyl)pyrazole-3-carboxylate - CAS 144252-20-0
Catalog: |
BB009749 |
Product Name: |
Methyl 5-(4-Pyridinyl)pyrazole-3-carboxylate |
CAS: |
144252-20-0 |
Synonyms: |
3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid methyl ester; methyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate |
IUPAC Name: | methyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate |
Description: | Methyl 5-(4-Pyridinyl)pyrazole-3-carboxylate (CAS# 144252-20-0) is used to synthesize potent histone deacetylase inhibitors with in vitro and in vivo anti-tumor efficacy. |
Molecular Weight: | 203.20 |
Molecular Formula: | C10H9N3O2 |
Canonical SMILES: | COC(=O)C1=CC(=NN1)C2=CC=NC=C2 |
InChI: | InChI=1S/C10H9N3O2/c1-15-10(14)9-6-8(12-13-9)7-2-4-11-5-3-7/h2-6H,1H3,(H,12,13) |
InChI Key: | AQRBKBKWRUXTGA-UHFFFAOYSA-N |
LogP: | 1.25830 |
Publication Number | Title | Priority Date |
US-2008021217-A1 | Heterocyclic inhibitors of rho kinase | 20060720 |
WO-2008011557-A2 | Heteroaryl inhibitors of rho kinase | 20060720 |
US-5420141-A | 3-amidopyrazole derivatives, process for preparing these and pharmaceutical composites containing them | 19900820 |
US-5607958-A | 3-amidopyrazole derivatives, process for preparing these and pharmaceutical compositions containing them | 19900820 |
US-5616592-A | 3-amidopyrazole derivatives, process for preparing these and pharmaceutical compositions containing them | 19900820 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.069476538 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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