2-(4-chloropyrazol-1-yl)-1-(3,4-difluorophenyl)ethanone

C11H7ClF2N2O — CID 54909826

IUPAC2-(4-chloropyrazol-1-yl)-1-(3,4-difluorophenyl)ethanone
SMILESO=C(Cn1cc(Cl)cn1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H7ClF2N2O/c12-8-4-15-16(5-8)6-11(17)7-1-2-9(13)10(14)3-7/h1-5H,6H2
InChIKeyDQUZVCUZIVJNKI-UHFFFAOYSA-N
MW256.64 g/mol
LogP2.70
Rot. Bonds3

About 2-(4-chloropyrazol-1-yl)-1-(3,4-difluorophenyl)ethanone

2-(4-chloropyrazol-1-yl)-1-(3,4-difluorophenyl)ethanone (PubChem CID 54909826) has the molecular formula C11H7ClF2N2O and a molecular weight of 256.64 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-1-(3,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-1-(3,4-difluorophenyl)ethanone
PubChem CID54909826
Molecular FormulaC11H7ClF2N2O
Molecular Weight256.64 g/mol
Exact Mass256.02
IUPAC Name2-(4-chloropyrazol-1-yl)-1-(3,4-difluorophenyl)ethanone
SMILESO=C(Cn1cc(Cl)cn1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H7ClF2N2O/c12-8-4-15-16(5-8)6-11(17)7-1-2-9(13)10(14)3-7/h1-5H,6H2
InChIKeyDQUZVCUZIVJNKI-UHFFFAOYSA-N
XLogP2.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 54909683
2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone
CID 54909682
2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone
CID 61034881
1-(4-chloropyrazol-1-yl)butan-2-one
CID 62040600
1-amino-3-(4-chloropyrazol-1-yl)propan-2-one
CID 84654781
2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543
N-carbamoyl-2-(4-chloropyrazol-1-yl)acetamide
CID 130693998
1-[2-(3,4-difluorophenyl)-2-oxoethyl]azepane-2,7-dione
CID 62023044
1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one
CID 14882325
1-[2-(3,4-difluorophenyl)-2-oxoethyl]piperidin-4-one
CID 62050662
5-(4-chlorophenyl)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42897860
2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 55157225

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-1-(3,4-difluorophenyl)ethanone?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-1-(3,4-difluorophenyl)ethanone (CID 54909826) is 2-(4-chloropyrazol-1-yl)-1-(3,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-1-(3,4-difluorophenyl)ethanone?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-1-(3,4-difluorophenyl)ethanone is O=C(Cn1cc(Cl)cn1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-1-(3,4-difluorophenyl)ethanone?
The InChIKey is DQUZVCUZIVJNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2O/c12-8-4-15-16(5-8)6-11(17)7-1-2-9(13)10(14)3-7/h1-5H,6H2.
What are the key properties of 2-(4-chloropyrazol-1-yl)-1-(3,4-difluorophenyl)ethanone?
2-(4-chloropyrazol-1-yl)-1-(3,4-difluorophenyl)ethanone has a molecular weight of 256.64 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-1-(3,4-difluorophenyl)ethanone is sourced from PubChem (CID 54909826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).