(1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone

C10H9FN2OS — CID 130594522

IUPAC(1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone
SMILESCCn1cc(C(=O)c2sccc2F)cn1
InChIInChI=1S/C10H9FN2OS/c1-2-13-6-7(5-12-13)9(14)10-8(11)3-4-15-10/h3-6H,2H2,1H3
InChIKeyRVILGYPYZLCTIH-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.33
Rot. Bonds3

About (1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone

(1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone (PubChem CID 130594522) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone
PubChem CID130594522
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name(1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone
SMILESCCn1cc(C(=O)c2sccc2F)cn1
InChIInChI=1S/C10H9FN2OS/c1-2-13-6-7(5-12-13)9(14)10-8(11)3-4-15-10/h3-6H,2H2,1H3
InChIKeyRVILGYPYZLCTIH-UHFFFAOYSA-N
XLogP2.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
CID 114963774
(1-ethylpyrazol-4-yl)-(2,3,4-trifluorophenyl)methanone
CID 114964425
(3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
CID 114963805
(4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone
CID 114964489
(2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone
CID 114885499
(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 114964376
(1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone
CID 62387419
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
(5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone
CID 105083231
(5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone
CID 114964392
(1-ethylpyrazol-4-yl)-(thiadiazol-5-yl)methanone
CID 105083248
[4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone
CID 116548142

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone (CID 130594522) is (1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone is CCn1cc(C(=O)c2sccc2F)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone?
The InChIKey is RVILGYPYZLCTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-2-13-6-7(5-12-13)9(14)10-8(11)3-4-15-10/h3-6H,2H2,1H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone?
(1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone has a molecular weight of 224.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone is sourced from PubChem (CID 130594522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).