(2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone

C12H9BrClFN2O — CID 115803888

IUPAC(2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1cccc(F)c1Br
InChIInChI=1S/C12H9BrClFN2O/c1-2-17-11(8(14)6-16-17)12(18)7-4-3-5-9(15)10(7)13/h3-6H,2H2,1H3
InChIKeyULYAHEOYANXLNE-UHFFFAOYSA-N
MW331.57 g/mol
LogP3.69
Rot. Bonds3

About (2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone

(2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone (PubChem CID 115803888) has the molecular formula C12H9BrClFN2O and a molecular weight of 331.57 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
PubChem CID115803888
Molecular FormulaC12H9BrClFN2O
Molecular Weight331.57 g/mol
Exact Mass329.96
IUPAC Name(2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1cccc(F)c1Br
InChIInChI=1S/C12H9BrClFN2O/c1-2-17-11(8(14)6-16-17)12(18)7-4-3-5-9(15)10(7)13/h3-6H,2H2,1H3
InChIKeyULYAHEOYANXLNE-UHFFFAOYSA-N
XLogP3.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.57
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115803927
(4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone
CID 114019163
(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone
CID 57214416
(4-chloro-1-ethylpyrazol-5-yl)-(2-ethoxyphenyl)methanone
CID 114642059
(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone
CID 115805833
[2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114642238
(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967803
(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanone
CID 105130385
4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide
CID 3321903
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone
CID 54068469
(3-bromo-2-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 107957438
(2-bromo-3,4-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 107537998

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone?
The IUPAC name of (2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone (CID 115803888) is (2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone?
The canonical SMILES for (2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone is CCn1ncc(Cl)c1C(=O)c1cccc(F)c1Br.
What is the InChIKey of (2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone?
The InChIKey is ULYAHEOYANXLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O/c1-2-17-11(8(14)6-16-17)12(18)7-4-3-5-9(15)10(7)13/h3-6H,2H2,1H3.
What are the key properties of (2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone?
(2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone has a molecular weight of 331.57 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone is sourced from PubChem (CID 115803888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).