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

C14H10ClFN2OS — CID 105130272

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H10ClFN2OS/c1-2-18-13(10(15)7-17-18)14(19)12-6-8-5-9(16)3-4-11(8)20-12/h3-7H,2H2,1H3
InChIKeyJVQZFECKMZFZQZ-UHFFFAOYSA-N
MW308.76 g/mol
LogP4.14
Rot. Bonds3

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

(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone (PubChem CID 105130272) has the molecular formula C14H10ClFN2OS and a molecular weight of 308.76 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone
PubChem CID105130272
Molecular FormulaC14H10ClFN2OS
Molecular Weight308.76 g/mol
Exact Mass308.02
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H10ClFN2OS/c1-2-18-13(10(15)7-17-18)14(19)12-6-8-5-9(16)3-4-11(8)20-12/h3-7H,2H2,1H3
InChIKeyJVQZFECKMZFZQZ-UHFFFAOYSA-N
XLogP4.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 115803566
(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 105130270
(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107967804
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone
CID 54068469
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115803927
(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967803
ethyl 5-fluoro-1-benzothiophene-2-carboxylate
CID 23261724
(4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone
CID 114639545
(7-bromo-1-benzofuran-2-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 105130349
(4-aminophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114668108
1-(5-fluoro-1-benzothiophen-2-yl)-2-methylpentan-1-one
CID 107891211
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130314

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone (CID 105130272) is (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone is CCn1ncc(Cl)c1C(=O)c1cc2cc(F)ccc2s1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone?
The InChIKey is JVQZFECKMZFZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2OS/c1-2-18-13(10(15)7-17-18)14(19)12-6-8-5-9(16)3-4-11(8)20-12/h3-7H,2H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone?
(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone has a molecular weight of 308.76 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 105130272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).