2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone

C12H11ClFN3O — CID 105108598

IUPAC2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone
SMILESCc1nn(C)c(CC(=O)c2cncc(F)c2)c1Cl
InChIInChI=1S/C12H11ClFN3O/c1-7-12(13)10(17(2)16-7)4-11(18)8-3-9(14)6-15-5-8/h3,5-6H,4H2,1-2H3
InChIKeyWDJPQCVWVGAVAX-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.34
Rot. Bonds3

About 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone (PubChem CID 105108598) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone
PubChem CID105108598
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone
SMILESCc1nn(C)c(CC(=O)c2cncc(F)c2)c1Cl
InChIInChI=1S/C12H11ClFN3O/c1-7-12(13)10(17(2)16-7)4-11(18)8-3-9(14)6-15-5-8/h3,5-6H,4H2,1-2H3
InChIKeyWDJPQCVWVGAVAX-UHFFFAOYSA-N
XLogP2.34
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
CID 66424220
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273633
2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
CID 104786801
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 114979303
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[3-(difluoromethoxy)phenyl]ethanone
CID 114979204
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methylsulfonylphenyl)ethanone
CID 114979194
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanone
CID 114979332
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone
CID 114979116
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethanone
CID 114979264
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone
CID 105111691
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105158795
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone
CID 103448080

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone?
The IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone (CID 105108598) is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone?
The canonical SMILES for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone is Cc1nn(C)c(CC(=O)c2cncc(F)c2)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone?
The InChIKey is WDJPQCVWVGAVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-7-12(13)10(17(2)16-7)4-11(18)8-3-9(14)6-15-5-8/h3,5-6H,4H2,1-2H3.
What are the key properties of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone?
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone has a molecular weight of 267.69 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone is sourced from PubChem (CID 105108598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).