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

C13H12ClFN2O — CID 64713085

IUPAC1-(3-chloro-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
SMILESCCn1cc(CC(=O)c2cccc(Cl)c2F)cn1
InChIInChI=1S/C13H12ClFN2O/c1-2-17-8-9(7-16-17)6-12(18)10-4-3-5-11(14)13(10)15/h3-5,7-8H,2,6H2,1H3
InChIKeyHQJGIRYEVXHDTM-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.12
Rot. Bonds4

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

1-(3-chloro-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone (PubChem CID 64713085) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
PubChem CID64713085
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
SMILESCCn1cc(CC(=O)c2cccc(Cl)c2F)cn1
InChIInChI=1S/C13H12ClFN2O/c1-2-17-8-9(7-16-17)6-12(18)10-4-3-5-11(14)13(10)15/h3-5,7-8H,2,6H2,1H3
InChIKeyHQJGIRYEVXHDTM-UHFFFAOYSA-N
XLogP3.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylphenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 114965367
1-(2-chloro-6-fluorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 55144645
1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 62126241
2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-2-iodophenyl)ethanone
CID 114029880
1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone
CID 64714143
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 82789190
1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 64714673
1-(4-bromo-3-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 114965452
2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340031
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 64714718
1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420
1-(3-bromo-5-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 107944320

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone (CID 64713085) is 1-(3-chloro-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone is CCn1cc(CC(=O)c2cccc(Cl)c2F)cn1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone?
The InChIKey is HQJGIRYEVXHDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-2-17-8-9(7-16-17)6-12(18)10-4-3-5-11(14)13(10)15/h3-5,7-8H,2,6H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone?
1-(3-chloro-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone has a molecular weight of 266.70 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 64713085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).