1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone

C14H17ClN2OS — CID 103407763

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone
SMILESCCc1cc(CC(=O)c2scc(C)c2Cl)n(CC)n1
InChIInChI=1S/C14H17ClN2OS/c1-4-10-6-11(17(5-2)16-10)7-12(18)14-13(15)9(3)8-19-14/h6,8H,4-5,7H2,1-3H3
InChIKeyUPIGKXWNSZCANT-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.91
Rot. Bonds5

About 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone

1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone (PubChem CID 103407763) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone
PubChem CID103407763
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone
SMILESCCc1cc(CC(=O)c2scc(C)c2Cl)n(CC)n1
InChIInChI=1S/C14H17ClN2OS/c1-4-10-6-11(17(5-2)16-10)7-12(18)14-13(15)9(3)8-19-14/h6,8H,4-5,7H2,1-3H3
InChIKeyUPIGKXWNSZCANT-UHFFFAOYSA-N
XLogP3.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 103408103
2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone
CID 115778740
1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone
CID 103407449
1-(3-chloro-4-methylthiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 103407809
4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797
1-(4,5-dibromothiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 115778844
1-(1,3-diethylpyrazol-5-yl)heptan-2-one
CID 115778877
2-bromo-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407197
1-(1,3-diethylpyrazol-5-yl)-4-(methylamino)butan-2-one
CID 116561204
4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 79076883
1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 103407837
1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 103407745

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone (CID 103407763) is 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone is CCc1cc(CC(=O)c2scc(C)c2Cl)n(CC)n1.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone?
The InChIKey is UPIGKXWNSZCANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-4-10-6-11(17(5-2)16-10)7-12(18)14-13(15)9(3)8-19-14/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone?
1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone has a molecular weight of 296.82 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone is sourced from PubChem (CID 103407763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).