(4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone

C12H10ClFN2O — CID 63976130

IUPAC(4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H10ClFN2O/c1-2-16-11(5-6-15-16)12(17)9-4-3-8(13)7-10(9)14/h3-7H,2H2,1H3
InChIKeyIGOFKKQKOQZTOD-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.93
Rot. Bonds3

About (4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone

(4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone (PubChem CID 63976130) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone
PubChem CID63976130
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name(4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H10ClFN2O/c1-2-16-11(5-6-15-16)12(17)9-4-3-8(13)7-10(9)14/h3-7H,2H2,1H3
InChIKeyIGOFKKQKOQZTOD-UHFFFAOYSA-N
XLogP2.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-4-chlorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 64914209
(2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 114972492
(3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972423
(2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972434
(3-amino-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 116597326
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115803927
(2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877629
(2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114972499
2-(2-chloro-6-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone
CID 63974650
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 115791516
(2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone
CID 114972432
(3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972479

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone (CID 63976130) is (4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone is CCn1nccc1C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is IGOFKKQKOQZTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-2-16-11(5-6-15-16)12(17)9-4-3-8(13)7-10(9)14/h3-7H,2H2,1H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone?
(4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 252.68 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 63976130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).