1-ethyl-4-[1-(5-ethylthiophen-3-yl)ethyl]pyrazole

C13H18N2S — CID 91077854

IUPAC1-ethyl-4-[1-(5-ethylthiophen-3-yl)ethyl]pyrazole
SMILESCCc1cc(C(C)c2cnn(CC)c2)cs1
InChIInChI=1S/C13H18N2S/c1-4-13-6-11(9-16-13)10(3)12-7-14-15(5-2)8-12/h6-10H,4-5H2,1-3H3
InChIKeyYANKBKZNOHLPSJ-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.68
Rot. Bonds4

About 1-ethyl-4-[1-(5-ethylthiophen-3-yl)ethyl]pyrazole

1-ethyl-4-[1-(5-ethylthiophen-3-yl)ethyl]pyrazole (PubChem CID 91077854) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 1-ethyl-4-[1-(5-ethylthiophen-3-yl)ethyl]pyrazole.

Molecular Properties

Compound Name1-ethyl-4-[1-(5-ethylthiophen-3-yl)ethyl]pyrazole
PubChem CID91077854
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name1-ethyl-4-[1-(5-ethylthiophen-3-yl)ethyl]pyrazole
SMILESCCc1cc(C(C)c2cnn(CC)c2)cs1
InChIInChI=1S/C13H18N2S/c1-4-13-6-11(9-16-13)10(3)12-7-14-15(5-2)8-12/h6-10H,4-5H2,1-3H3
InChIKeyYANKBKZNOHLPSJ-UHFFFAOYSA-N
XLogP3.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 55264385
(1-ethylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
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[(1-ethylpyrazol-4-yl)-(5-ethylthiophen-2-yl)methyl]hydrazine
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3-(1-ethylpyrazol-4-yl)butan-1-amine
CID 81014220
[(4-bromothiophen-2-yl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105222445
1-(1-ethylpyrazol-4-yl)propane-1,2-diol
CID 103452757
1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79412573
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872
(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 115808279
1-(1-ethylpyrazol-4-yl)decan-1-amine
CID 115816084
4-amino-3-(1-ethylpyrazol-4-yl)pentan-1-ol
CID 103570897
1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine
CID 116719624

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[1-(5-ethylthiophen-3-yl)ethyl]pyrazole?
The IUPAC name of 1-ethyl-4-[1-(5-ethylthiophen-3-yl)ethyl]pyrazole (CID 91077854) is 1-ethyl-4-[1-(5-ethylthiophen-3-yl)ethyl]pyrazole.
What is the SMILES notation for 1-ethyl-4-[1-(5-ethylthiophen-3-yl)ethyl]pyrazole?
The canonical SMILES for 1-ethyl-4-[1-(5-ethylthiophen-3-yl)ethyl]pyrazole is CCc1cc(C(C)c2cnn(CC)c2)cs1.
What is the InChIKey of 1-ethyl-4-[1-(5-ethylthiophen-3-yl)ethyl]pyrazole?
The InChIKey is YANKBKZNOHLPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-4-13-6-11(9-16-13)10(3)12-7-14-15(5-2)8-12/h6-10H,4-5H2,1-3H3.
What are the key properties of 1-ethyl-4-[1-(5-ethylthiophen-3-yl)ethyl]pyrazole?
1-ethyl-4-[1-(5-ethylthiophen-3-yl)ethyl]pyrazole has a molecular weight of 234.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[1-(5-ethylthiophen-3-yl)ethyl]pyrazole is sourced from PubChem (CID 91077854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).