2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone

C16H18ClFN2O — CID 115778645

IUPAC2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone
SMILESCCc1nn(CC)c(CC(=O)c2ccc(C)cc2F)c1Cl
InChIInChI=1S/C16H18ClFN2O/c1-4-13-16(17)14(20(5-2)19-13)9-15(21)11-7-6-10(3)8-12(11)18/h6-8H,4-5,9H2,1-3H3
InChIKeyQIZDQYAOEPRPEH-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.99
Rot. Bonds5

About 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone (PubChem CID 115778645) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone
PubChem CID115778645
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone
SMILESCCc1nn(CC)c(CC(=O)c2ccc(C)cc2F)c1Cl
InChIInChI=1S/C16H18ClFN2O/c1-4-13-16(17)14(20(5-2)19-13)9-15(21)11-7-6-10(3)8-12(11)18/h6-8H,4-5,9H2,1-3H3
InChIKeyQIZDQYAOEPRPEH-UHFFFAOYSA-N
XLogP3.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone 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

1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone
CID 115778632
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone
CID 115778565
1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 114980601
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-methyl-4-pyridinyl)ethanone
CID 106754690
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone
CID 103448183
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-5-yl)ethanone
CID 114031567
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115803927
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone
CID 107977055
1-(3-amino-5-bromophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone
CID 116597150
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanone
CID 105111157
1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 114980619
1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one
CID 116548422

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone?
The IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone (CID 115778645) is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone?
The canonical SMILES for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone is CCc1nn(CC)c(CC(=O)c2ccc(C)cc2F)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone?
The InChIKey is QIZDQYAOEPRPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-4-13-16(17)14(20(5-2)19-13)9-15(21)11-7-6-10(3)8-12(11)18/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone?
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone has a molecular weight of 308.78 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone is sourced from PubChem (CID 115778645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).