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

C15H16Cl2N2O — CID 114980456

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanone
SMILESCCc1nn(C)c(CC(=O)c2cc(C)cc(Cl)c2)c1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-4-12-15(17)13(19(3)18-12)8-14(20)10-5-9(2)6-11(16)7-10/h5-7H,4,8H2,1-3H3
InChIKeySIGGDVONWVINIJ-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.02
Rot. Bonds4

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

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanone (PubChem CID 114980456) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanone
PubChem CID114980456
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanone
SMILESCCc1nn(C)c(CC(=O)c2cc(C)cc(Cl)c2)c1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-4-12-15(17)13(19(3)18-12)8-14(20)10-5-9(2)6-11(16)7-10/h5-7H,4,8H2,1-3H3
InChIKeySIGGDVONWVINIJ-UHFFFAOYSA-N
XLogP4.02
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 114980527
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-5-methylphenyl)ethanone
CID 115799634
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105109672
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone
CID 107977022
1-(5-bromo-2-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 114980376
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 107967652
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanone
CID 107944570
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)ethanone
CID 114980388
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethanone
CID 107976985
1-(4-amino-3,5-dichlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116609952
1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 107538202

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanone?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanone (CID 114980456) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanone?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanone is CCc1nn(C)c(CC(=O)c2cc(C)cc(Cl)c2)c1Cl.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanone?
The InChIKey is SIGGDVONWVINIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-4-12-15(17)13(19(3)18-12)8-14(20)10-5-9(2)6-11(16)7-10/h5-7H,4,8H2,1-3H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanone?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanone has a molecular weight of 311.21 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanone is sourced from PubChem (CID 114980456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).