1-ethyl-3-thiophen-3-yl-4,5,6,7-tetrahydroindazole

C13H16N2S — CID 121214632

IUPAC1-ethyl-3-thiophen-3-yl-4,5,6,7-tetrahydroindazole
SMILESCCn1nc(-c2ccsc2)c2c1CCCC2
InChIInChI=1S/C13H16N2S/c1-2-15-12-6-4-3-5-11(12)13(14-15)10-7-8-16-9-10/h7-9H,2-6H2,1H3
InChIKeyVZNVZPFQGAKGQD-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.51
Rot. Bonds2

About 1-ethyl-3-thiophen-3-yl-4,5,6,7-tetrahydroindazole

1-ethyl-3-thiophen-3-yl-4,5,6,7-tetrahydroindazole (PubChem CID 121214632) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-ethyl-3-thiophen-3-yl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-ethyl-3-thiophen-3-yl-4,5,6,7-tetrahydroindazole
PubChem CID121214632
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-ethyl-3-thiophen-3-yl-4,5,6,7-tetrahydroindazole
SMILESCCn1nc(-c2ccsc2)c2c1CCCC2
InChIInChI=1S/C13H16N2S/c1-2-15-12-6-4-3-5-11(12)13(14-15)10-7-8-16-9-10/h7-9H,2-6H2,1H3
InChIKeyVZNVZPFQGAKGQD-UHFFFAOYSA-N
XLogP3.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-thiophen-3-yl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-ethyl-3-thiophen-3-yl-4,5,6,7-tetrahydroindazole (CID 121214632) is 1-ethyl-3-thiophen-3-yl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-ethyl-3-thiophen-3-yl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-ethyl-3-thiophen-3-yl-4,5,6,7-tetrahydroindazole is CCn1nc(-c2ccsc2)c2c1CCCC2.
What is the InChIKey of 1-ethyl-3-thiophen-3-yl-4,5,6,7-tetrahydroindazole?
The InChIKey is VZNVZPFQGAKGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-2-15-12-6-4-3-5-11(12)13(14-15)10-7-8-16-9-10/h7-9H,2-6H2,1H3.
What are the key properties of 1-ethyl-3-thiophen-3-yl-4,5,6,7-tetrahydroindazole?
1-ethyl-3-thiophen-3-yl-4,5,6,7-tetrahydroindazole has a molecular weight of 232.35 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-thiophen-3-yl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 121214632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).