(4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone

C12H10BrFN2O — CID 114964489

IUPAC(4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2ccc(Br)c(F)c2)cn1
InChIInChI=1S/C12H10BrFN2O/c1-2-16-7-9(6-15-16)12(17)8-3-4-10(13)11(14)5-8/h3-7H,2H2,1H3
InChIKeyFQLCOSNNWRLCOO-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.04
Rot. Bonds3

About (4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone

(4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone (PubChem CID 114964489) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone
PubChem CID114964489
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name(4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2ccc(Br)c(F)c2)cn1
InChIInChI=1S/C12H10BrFN2O/c1-2-16-7-9(6-15-16)12(17)8-3-4-10(13)11(14)5-8/h3-7H,2H2,1H3
InChIKeyFQLCOSNNWRLCOO-UHFFFAOYSA-N
XLogP3.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 114964376
1-(4-bromo-3-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 114965452
(2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone
CID 114885499
(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone
CID 107944306
(1-ethylpyrazol-4-yl)-(2,3,4-trifluorophenyl)methanone
CID 114964425
(5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone
CID 105083231
[4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone
CID 116548142
(1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone
CID 130594522
(1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone
CID 62387419
(5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone
CID 114964392
(2-bromo-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanone
CID 114885302
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of (4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone (CID 114964489) is (4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)c2ccc(Br)c(F)c2)cn1.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is FQLCOSNNWRLCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c1-2-16-7-9(6-15-16)12(17)8-3-4-10(13)11(14)5-8/h3-7H,2H2,1H3.
What are the key properties of (4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone?
(4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone has a molecular weight of 297.13 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 114964489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).