ethane;4-(5-ethylthiophen-2-yl)-1-hexan-3-ylpyrazole

C17H28N2S — CID 164919019

IUPACethane;4-(5-ethylthiophen-2-yl)-1-hexan-3-ylpyrazole
SMILESCC.CCCC(CC)n1cc(-c2ccc(CC)s2)cn1
InChIInChI=1S/C15H22N2S.C2H6/c1-4-7-13(5-2)17-11-12(10-16-17)15-9-8-14(6-3)18-15;1-2/h8-11,13H,4-7H2,1-3H3;1-2H3
InChIKeyGZGNUJZZBKTIPG-UHFFFAOYSA-N
MW292.49 g/mol
LogP5.95
Rot. Bonds6

About ethane;4-(5-ethylthiophen-2-yl)-1-hexan-3-ylpyrazole

ethane;4-(5-ethylthiophen-2-yl)-1-hexan-3-ylpyrazole (PubChem CID 164919019) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is ethane;4-(5-ethylthiophen-2-yl)-1-hexan-3-ylpyrazole.

Molecular Properties

Compound Nameethane;4-(5-ethylthiophen-2-yl)-1-hexan-3-ylpyrazole
PubChem CID164919019
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Nameethane;4-(5-ethylthiophen-2-yl)-1-hexan-3-ylpyrazole
SMILESCC.CCCC(CC)n1cc(-c2ccc(CC)s2)cn1
InChIInChI=1S/C15H22N2S.C2H6/c1-4-7-13(5-2)17-11-12(10-16-17)15-9-8-14(6-3)18-15;1-2/h8-11,13H,4-7H2,1-3H3;1-2H3
InChIKeyGZGNUJZZBKTIPG-UHFFFAOYSA-N
XLogP5.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.49
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(5-ethylthiophen-2-yl)-1-hexan-3-ylpyrazole?
The IUPAC name of ethane;4-(5-ethylthiophen-2-yl)-1-hexan-3-ylpyrazole (CID 164919019) is ethane;4-(5-ethylthiophen-2-yl)-1-hexan-3-ylpyrazole.
What is the SMILES notation for ethane;4-(5-ethylthiophen-2-yl)-1-hexan-3-ylpyrazole?
The canonical SMILES for ethane;4-(5-ethylthiophen-2-yl)-1-hexan-3-ylpyrazole is CC.CCCC(CC)n1cc(-c2ccc(CC)s2)cn1.
What is the InChIKey of ethane;4-(5-ethylthiophen-2-yl)-1-hexan-3-ylpyrazole?
The InChIKey is GZGNUJZZBKTIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S.C2H6/c1-4-7-13(5-2)17-11-12(10-16-17)15-9-8-14(6-3)18-15;1-2/h8-11,13H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;4-(5-ethylthiophen-2-yl)-1-hexan-3-ylpyrazole?
ethane;4-(5-ethylthiophen-2-yl)-1-hexan-3-ylpyrazole has a molecular weight of 292.49 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(5-ethylthiophen-2-yl)-1-hexan-3-ylpyrazole is sourced from PubChem (CID 164919019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).