(2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone

C12H10BrFN2O — CID 114885499

IUPAC(2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2c(F)cccc2Br)cn1
InChIInChI=1S/C12H10BrFN2O/c1-2-16-7-8(6-15-16)12(17)11-9(13)4-3-5-10(11)14/h3-7H,2H2,1H3
InChIKeyGYKHUGAEBFDBJN-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.04
Rot. Bonds3

About (2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone

(2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone (PubChem CID 114885499) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone
PubChem CID114885499
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name(2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2c(F)cccc2Br)cn1
InChIInChI=1S/C12H10BrFN2O/c1-2-16-7-8(6-15-16)12(17)11-9(13)4-3-5-10(11)14/h3-7H,2H2,1H3
InChIKeyGYKHUGAEBFDBJN-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

(2-bromo-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanone
CID 114885302
(4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone
CID 114964489
(1-ethylpyrazol-4-yl)-(2,3,4-trifluorophenyl)methanone
CID 114964425
(1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone
CID 130594522
(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone
CID 107944306
(5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone
CID 114964392
[4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone
CID 116548142
(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 114964376
(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone
CID 114558647
(1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone
CID 62387419
N-[(2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 114887322
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of (2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone (CID 114885499) is (2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)c2c(F)cccc2Br)cn1.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is GYKHUGAEBFDBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c1-2-16-7-8(6-15-16)12(17)11-9(13)4-3-5-10(11)14/h3-7H,2H2,1H3.
What are the key properties of (2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone?
(2-bromo-6-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 (2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 114885499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).