[4-(2,4-dichloro-3,5-dimethylbenzoyl)-1-methylpyrazol-5-yl] acetate

C15H14Cl2N2O3 — CID 54571262

IUPAC[4-(2,4-dichloro-3,5-dimethylbenzoyl)-1-methylpyrazol-5-yl] acetate
SMILESCC(=O)Oc1c(C(=O)c2cc(C)c(Cl)c(C)c2Cl)cnn1C
InChIInChI=1S/C15H14Cl2N2O3/c1-7-5-10(13(17)8(2)12(7)16)14(21)11-6-18-19(4)15(11)22-9(3)20/h5-6H,1-4H3
InChIKeyZXKHYJLGLSNDBV-UHFFFAOYSA-N
MW341.19 g/mol
LogP3.50
Rot. Bonds3

About [4-(2,4-dichloro-3,5-dimethylbenzoyl)-1-methylpyrazol-5-yl] acetate

[4-(2,4-dichloro-3,5-dimethylbenzoyl)-1-methylpyrazol-5-yl] acetate (PubChem CID 54571262) has the molecular formula C15H14Cl2N2O3 and a molecular weight of 341.19 g/mol. Its IUPAC name is [4-(2,4-dichloro-3,5-dimethylbenzoyl)-1-methylpyrazol-5-yl] acetate.

Molecular Properties

Compound Name[4-(2,4-dichloro-3,5-dimethylbenzoyl)-1-methylpyrazol-5-yl] acetate
PubChem CID54571262
Molecular FormulaC15H14Cl2N2O3
Molecular Weight341.19 g/mol
Exact Mass340.04
IUPAC Name[4-(2,4-dichloro-3,5-dimethylbenzoyl)-1-methylpyrazol-5-yl] acetate
SMILESCC(=O)Oc1c(C(=O)c2cc(C)c(Cl)c(C)c2Cl)cnn1C
InChIInChI=1S/C15H14Cl2N2O3/c1-7-5-10(13(17)8(2)12(7)16)14(21)11-6-18-19(4)15(11)22-9(3)20/h5-6H,1-4H3
InChIKeyZXKHYJLGLSNDBV-UHFFFAOYSA-N
XLogP3.50
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-methyl-4-(2,3,5-trimethylbenzoyl)pyrazol-5-yl] acetate
CID 54077259
[5-[(4-chlorophenyl)methoxy]-1-propylpyrazol-4-yl]-(2,4-dichloro-3,5-dimethylphenyl)methanone
CID 54511433
[1-methyl-4-(2,3,4,8-tetramethyl-1-oxidoquinolin-1-ium-5-carbonyl)pyrazol-5-yl] acetate
CID 59961842
2-[4-(2-chloro-3,5-dimethyl-4-methylsulfonylbenzoyl)-1-methylpyrazol-5-yl]oxy-N-ethylacetamide
CID 54382637
2-[4-[2-chloro-3,5-dimethyl-4-(trifluoromethyl)benzoyl]-1-methylpyrazol-5-yl]oxy-1-phenylethanone
CID 54051143
(5-methoxy-1-methylpyrazol-4-yl)-(1,3,4,8-tetramethylisoquinolin-5-yl)methanone
CID 59961886
[4-(2-chloro-3,5-dimethyl-4-methylsulfonylbenzoyl)-1-ethylpyrazol-5-yl] ethyl carbonate
CID 54158764
[5-(methoxymethoxy)-1-methylpyrazol-4-yl]-(2,3,5-trimethyl-4-methylsulfonylphenyl)methanone
CID 54513101
(5-chloro-1-methylpyrazol-4-yl) acetate
CID 174690974
[1-butyl-4-[4-chloro-2-methyl-3-(3-methylbut-2-en-2-yl)benzoyl]pyrazol-5-yl] acetate
CID 54568952
(2-chloro-3,5-dimethyl-4-methylsulfonylphenyl)-[5-[(4-methylphenyl)methoxy]-1-propylpyrazol-4-yl]methanone
CID 54486072
[3,5-dimethyl-4-methylsulfonyl-2-(trifluoromethyl)phenyl]-(5-ethoxy-1-methylpyrazol-4-yl)methanone
CID 54398816

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dichloro-3,5-dimethylbenzoyl)-1-methylpyrazol-5-yl] acetate?
The IUPAC name of [4-(2,4-dichloro-3,5-dimethylbenzoyl)-1-methylpyrazol-5-yl] acetate (CID 54571262) is [4-(2,4-dichloro-3,5-dimethylbenzoyl)-1-methylpyrazol-5-yl] acetate.
What is the SMILES notation for [4-(2,4-dichloro-3,5-dimethylbenzoyl)-1-methylpyrazol-5-yl] acetate?
The canonical SMILES for [4-(2,4-dichloro-3,5-dimethylbenzoyl)-1-methylpyrazol-5-yl] acetate is CC(=O)Oc1c(C(=O)c2cc(C)c(Cl)c(C)c2Cl)cnn1C.
What is the InChIKey of [4-(2,4-dichloro-3,5-dimethylbenzoyl)-1-methylpyrazol-5-yl] acetate?
The InChIKey is ZXKHYJLGLSNDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3/c1-7-5-10(13(17)8(2)12(7)16)14(21)11-6-18-19(4)15(11)22-9(3)20/h5-6H,1-4H3.
What are the key properties of [4-(2,4-dichloro-3,5-dimethylbenzoyl)-1-methylpyrazol-5-yl] acetate?
[4-(2,4-dichloro-3,5-dimethylbenzoyl)-1-methylpyrazol-5-yl] acetate has a molecular weight of 341.19 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dichloro-3,5-dimethylbenzoyl)-1-methylpyrazol-5-yl] acetate is sourced from PubChem (CID 54571262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).