1-cyclohexyl-4-thiophen-2-yloxypyrazole

C13H16N2OS — CID 117234007

IUPAC1-cyclohexyl-4-thiophen-2-yloxypyrazole
SMILESc1csc(Oc2cnn(C3CCCCC3)c2)c1
InChIInChI=1S/C13H16N2OS/c1-2-5-11(6-3-1)15-10-12(9-14-15)16-13-7-4-8-17-13/h4,7-11H,1-3,5-6H2
InChIKeyQQQAKDLOCMTJJW-UHFFFAOYSA-N
MW248.35 g/mol
LogP4.24
Rot. Bonds3

About 1-cyclohexyl-4-thiophen-2-yloxypyrazole

1-cyclohexyl-4-thiophen-2-yloxypyrazole (PubChem CID 117234007) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-cyclohexyl-4-thiophen-2-yloxypyrazole.

Molecular Properties

Compound Name1-cyclohexyl-4-thiophen-2-yloxypyrazole
PubChem CID117234007
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-cyclohexyl-4-thiophen-2-yloxypyrazole
SMILESc1csc(Oc2cnn(C3CCCCC3)c2)c1
InChIInChI=1S/C13H16N2OS/c1-2-5-11(6-3-1)15-10-12(9-14-15)16-13-7-4-8-17-13/h4,7-11H,1-3,5-6H2
InChIKeyQQQAKDLOCMTJJW-UHFFFAOYSA-N
XLogP4.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-thiophen-2-yloxypyrazole?
The IUPAC name of 1-cyclohexyl-4-thiophen-2-yloxypyrazole (CID 117234007) is 1-cyclohexyl-4-thiophen-2-yloxypyrazole.
What is the SMILES notation for 1-cyclohexyl-4-thiophen-2-yloxypyrazole?
The canonical SMILES for 1-cyclohexyl-4-thiophen-2-yloxypyrazole is c1csc(Oc2cnn(C3CCCCC3)c2)c1.
What is the InChIKey of 1-cyclohexyl-4-thiophen-2-yloxypyrazole?
The InChIKey is QQQAKDLOCMTJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-5-11(6-3-1)15-10-12(9-14-15)16-13-7-4-8-17-13/h4,7-11H,1-3,5-6H2.
What are the key properties of 1-cyclohexyl-4-thiophen-2-yloxypyrazole?
1-cyclohexyl-4-thiophen-2-yloxypyrazole has a molecular weight of 248.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-thiophen-2-yloxypyrazole is sourced from PubChem (CID 117234007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).