2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone

C14H14ClFN2O — CID 63974862

IUPAC2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone
SMILESCCCn1nccc1C(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H14ClFN2O/c1-2-7-18-13(5-6-17-18)14(19)8-10-3-4-11(16)9-12(10)15/h3-6,9H,2,7-8H2,1H3
InChIKeyVAIRWXOFZUTDJQ-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.51
Rot. Bonds5

About 2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone

2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone (PubChem CID 63974862) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone
PubChem CID63974862
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone
SMILESCCCn1nccc1C(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H14ClFN2O/c1-2-7-18-13(5-6-17-18)14(19)8-10-3-4-11(16)9-12(10)15/h3-6,9H,2,7-8H2,1H3
InChIKeyVAIRWXOFZUTDJQ-UHFFFAOYSA-N
XLogP3.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone
CID 63975698
1-(2-propylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 114972242
1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one
CID 174471128
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(2-propylpyrazol-3-yl)methanone
CID 105099960
2-(3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanone
CID 63976549
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
CID 103451384
2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide
CID 126789693
1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole
CID 53443819
2-(2-chloro-4-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 63035451
6-amino-4-methyl-1-(2-propylpyrazol-3-yl)hexan-1-one
CID 116581593
(2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977040

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone (CID 63974862) is 2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone is CCCn1nccc1C(=O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone?
The InChIKey is VAIRWXOFZUTDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-2-7-18-13(5-6-17-18)14(19)8-10-3-4-11(16)9-12(10)15/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone?
2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone has a molecular weight of 280.73 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone is sourced from PubChem (CID 63974862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).