2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone

C14H13Cl3N2O — CID 114980588

IUPAC2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone
SMILESCCn1nc(C)c(Cl)c1CC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H13Cl3N2O/c1-3-19-11(13(16)8(2)18-19)7-12(20)9-5-4-6-10(15)14(9)17/h4-6H,3,7H2,1-2H3
InChIKeyAPNDUKASSRCLNC-UHFFFAOYSA-N
MW331.63 g/mol
LogP4.60
Rot. Bonds4

About 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone (PubChem CID 114980588) has the molecular formula C14H13Cl3N2O and a molecular weight of 331.63 g/mol. Its IUPAC name is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone
PubChem CID114980588
Molecular FormulaC14H13Cl3N2O
Molecular Weight331.63 g/mol
Exact Mass330.01
IUPAC Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone
SMILESCCn1nc(C)c(Cl)c1CC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H13Cl3N2O/c1-3-19-11(13(16)8(2)18-19)7-12(20)9-5-4-6-10(15)14(9)17/h4-6H,3,7H2,1-2H3
InChIKeyAPNDUKASSRCLNC-UHFFFAOYSA-N
XLogP4.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.63
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone
CID 114979116
1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 114980601
1-(5-amino-2-bromophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116602790
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanone
CID 105109801
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanone
CID 114980678
1-(2-amino-5-methoxyphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116602566
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethanone
CID 114980621
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone
CID 115778565
1-(2,3-dichlorophenyl)propan-1-one
CID 22173184
1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 114980619
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethanone
CID 114980597
3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-phenylbutan-2-one
CID 116563879

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone?
The IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone (CID 114980588) is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone?
The canonical SMILES for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone is CCn1nc(C)c(Cl)c1CC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone?
The InChIKey is APNDUKASSRCLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N2O/c1-3-19-11(13(16)8(2)18-19)7-12(20)9-5-4-6-10(15)14(9)17/h4-6H,3,7H2,1-2H3.
What are the key properties of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone?
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone has a molecular weight of 331.63 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone is sourced from PubChem (CID 114980588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).