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

C14H13ClF2N2O — CID 114980424

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone
SMILESCCc1nn(C)c(CC(=O)c2cccc(F)c2F)c1Cl
InChIInChI=1S/C14H13ClF2N2O/c1-3-10-13(15)11(19(2)18-10)7-12(20)8-5-4-6-9(16)14(8)17/h4-6H,3,7H2,1-2H3
InChIKeyPOWLFKJVLLRHLO-UHFFFAOYSA-N
MW298.72 g/mol
LogP3.34
Rot. Bonds4

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

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone (PubChem CID 114980424) has the molecular formula C14H13ClF2N2O and a molecular weight of 298.72 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone
PubChem CID114980424
Molecular FormulaC14H13ClF2N2O
Molecular Weight298.72 g/mol
Exact Mass298.07
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone
SMILESCCc1nn(C)c(CC(=O)c2cccc(F)c2F)c1Cl
InChIInChI=1S/C14H13ClF2N2O/c1-3-10-13(15)11(19(2)18-10)7-12(20)8-5-4-6-9(16)14(8)17/h4-6H,3,7H2,1-2H3
InChIKeyPOWLFKJVLLRHLO-UHFFFAOYSA-N
XLogP3.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone
CID 115778565
1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 107538202
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanone
CID 114977949
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-(2,4-dibromophenyl)ethanone
CID 107944570
1-(3-bromo-2-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 114978090
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124801
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 107967652
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-one
CID 114980514
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)ethanone
CID 114980388
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone
CID 107977022
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,6-difluorophenyl)ethyl]hydrazine
CID 105246689

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone (CID 114980424) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone is CCc1nn(C)c(CC(=O)c2cccc(F)c2F)c1Cl.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone?
The InChIKey is POWLFKJVLLRHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2O/c1-3-10-13(15)11(19(2)18-10)7-12(20)8-5-4-6-9(16)14(8)17/h4-6H,3,7H2,1-2H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone has a molecular weight of 298.72 g/mol, XLogP of 3.34, 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-(2,3-difluorophenyl)ethanone is sourced from PubChem (CID 114980424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).