1-[5-chloro-3-(fluoromethyl)-1-methylpyrazol-4-yl]ethanone

C7H8ClFN2O — CID 89112116

IUPAC1-[5-chloro-3-(fluoromethyl)-1-methylpyrazol-4-yl]ethanone
SMILESCC(=O)c1c(CF)nn(C)c1Cl
InChIInChI=1S/C7H8ClFN2O/c1-4(12)6-5(3-9)10-11(2)7(6)8/h3H2,1-2H3
InChIKeyYZFUHHZXUUIKEE-UHFFFAOYSA-N
MW190.60 g/mol
LogP1.75
Rot. Bonds2

About 1-[5-chloro-3-(fluoromethyl)-1-methylpyrazol-4-yl]ethanone

1-[5-chloro-3-(fluoromethyl)-1-methylpyrazol-4-yl]ethanone (PubChem CID 89112116) has the molecular formula C7H8ClFN2O and a molecular weight of 190.60 g/mol. Its IUPAC name is 1-[5-chloro-3-(fluoromethyl)-1-methylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-3-(fluoromethyl)-1-methylpyrazol-4-yl]ethanone
PubChem CID89112116
Molecular FormulaC7H8ClFN2O
Molecular Weight190.60 g/mol
Exact Mass190.03
IUPAC Name1-[5-chloro-3-(fluoromethyl)-1-methylpyrazol-4-yl]ethanone
SMILESCC(=O)c1c(CF)nn(C)c1Cl
InChIInChI=1S/C7H8ClFN2O/c1-4(12)6-5(3-9)10-11(2)7(6)8/h3H2,1-2H3
InChIKeyYZFUHHZXUUIKEE-UHFFFAOYSA-N
XLogP1.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.60
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone
CID 2783021
5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide
CID 130628105
1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanone
CID 2763519
1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one
CID 83880828
3-bromo-5-chloro-1-methylpyrazole-4-carboxylic acid
CID 83824721
5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 47143740
5-chloro-3-ethyl-N'-hydroxy-1-methylpyrazole-4-carboximidamide
CID 83881355
1-[3-(2-hydroxypropyl)-1,5-dimethylpyrazol-4-yl]ethanone
CID 22966457
ethyl 5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carboxylate
CID 56926831
2-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 83887374
methyl 3-bromo-5-chloro-1-methylpyrazole-4-carboxylate
CID 84707948
5-chloro-3,4-diethyl-1-methylpyrazole
CID 142045538

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-3-(fluoromethyl)-1-methylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[5-chloro-3-(fluoromethyl)-1-methylpyrazol-4-yl]ethanone (CID 89112116) is 1-[5-chloro-3-(fluoromethyl)-1-methylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-chloro-3-(fluoromethyl)-1-methylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[5-chloro-3-(fluoromethyl)-1-methylpyrazol-4-yl]ethanone is CC(=O)c1c(CF)nn(C)c1Cl.
What is the InChIKey of 1-[5-chloro-3-(fluoromethyl)-1-methylpyrazol-4-yl]ethanone?
The InChIKey is YZFUHHZXUUIKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O/c1-4(12)6-5(3-9)10-11(2)7(6)8/h3H2,1-2H3.
What are the key properties of 1-[5-chloro-3-(fluoromethyl)-1-methylpyrazol-4-yl]ethanone?
1-[5-chloro-3-(fluoromethyl)-1-methylpyrazol-4-yl]ethanone has a molecular weight of 190.60 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-3-(fluoromethyl)-1-methylpyrazol-4-yl]ethanone is sourced from PubChem (CID 89112116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).