[2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate

C19H14ClF2N3O3 — CID 2416263

IUPAC[2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)c3ccc(F)c(F)c3)n2)n1
InChIInChI=1S/C19H14ClF2N3O3/c1-10-7-11(2)25(24-10)17-6-4-13(20)18(23-17)19(27)28-9-16(26)12-3-5-14(21)15(22)8-12/h3-8H,9H2,1-2H3
InChIKeyZYXFVNZZBQELDJ-UHFFFAOYSA-N
MW405.79 g/mol
LogP3.86
Rot. Bonds5

About [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate

[2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate (PubChem CID 2416263) has the molecular formula C19H14ClF2N3O3 and a molecular weight of 405.79 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
PubChem CID2416263
Molecular FormulaC19H14ClF2N3O3
Molecular Weight405.79 g/mol
Exact Mass405.07
IUPAC Name[2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)c3ccc(F)c(F)c3)n2)n1
InChIInChI=1S/C19H14ClF2N3O3/c1-10-7-11(2)25(24-10)17-6-4-13(20)18(23-17)19(27)28-9-16(26)12-3-5-14(21)15(22)8-12/h3-8H,9H2,1-2H3
InChIKeyZYXFVNZZBQELDJ-UHFFFAOYSA-N
XLogP3.86
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.79
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Amino-2-oxoethyl) 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 2470048
methyl 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine-2-carboxylate
CID 2028601
[2-(2-Chlorophenyl)-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 9407954
Ethyl 5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazole-3-carboxylate
CID 73345908
Isopropyl 3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 1113817
Ethyl 5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 1222789
Ethyl 7-(3,4-difluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 164946423
Methyl 3-chloro-5-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 44822327
Methyl 3-chloro-5-(2-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 44822395
methyl 1-(3-chloropyridin-2-yl)-3-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1H-pyrazole-5-carboxylate
CID 66587532
methyl 1-(3-chloropyridin-2-yl)-3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-1H-pyrazole-5-carboxylate
CID 86661392
5-(3-Chloro-5-fluorophenyl)-1-(6-chloropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
CID 89609962

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate?
The IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate (CID 2416263) is [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate?
The canonical SMILES for [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)c3ccc(F)c(F)c3)n2)n1.
What is the InChIKey of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate?
The InChIKey is ZYXFVNZZBQELDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O3/c1-10-7-11(2)25(24-10)17-6-4-13(20)18(23-17)19(27)28-9-16(26)12-3-5-14(21)15(22)8-12/h3-8H,9H2,1-2H3.
What are the key properties of [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate?
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate has a molecular weight of 405.79 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 2416263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).