(4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone

C14H10BrFN2OS — CID 115803566

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
SMILESCCn1ncc(Br)c1C(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H10BrFN2OS/c1-2-18-13(10(15)7-17-18)14(19)12-5-8-3-4-9(16)6-11(8)20-12/h3-7H,2H2,1H3
InChIKeyGLXIEZUQPGRBSD-UHFFFAOYSA-N
MW353.22 g/mol
LogP4.25
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone

(4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone (PubChem CID 115803566) has the molecular formula C14H10BrFN2OS and a molecular weight of 353.22 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
PubChem CID115803566
Molecular FormulaC14H10BrFN2OS
Molecular Weight353.22 g/mol
Exact Mass351.97
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
SMILESCCn1ncc(Br)c1C(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H10BrFN2OS/c1-2-18-13(10(15)7-17-18)14(19)12-5-8-3-4-9(16)6-11(8)20-12/h3-7H,2H2,1H3
InChIKeyGLXIEZUQPGRBSD-UHFFFAOYSA-N
XLogP4.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 105130272
(5-bromo-3-methyltriazol-4-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 106464325
(4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105215
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone
CID 114639062
(4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 114638877
(4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 115803593
(3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114642070
(3-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 106647478
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-one
CID 115788013
(4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone
CID 114641961
(3-aminophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668097
(4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone
CID 114639719

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone (CID 115803566) is (4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone is CCn1ncc(Br)c1C(=O)c1cc2ccc(F)cc2s1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
The InChIKey is GLXIEZUQPGRBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2OS/c1-2-18-13(10(15)7-17-18)14(19)12-5-8-3-4-9(16)6-11(8)20-12/h3-7H,2H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
(4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone has a molecular weight of 353.22 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 115803566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).