1-cyclohexyl-4-(furan-2-yloxy)pyrazole

C13H16N2O2 — CID 117234003

IUPAC1-cyclohexyl-4-(furan-2-yloxy)pyrazole
SMILESc1coc(Oc2cnn(C3CCCCC3)c2)c1
InChIInChI=1S/C13H16N2O2/c1-2-5-11(6-3-1)15-10-12(9-14-15)17-13-7-4-8-16-13/h4,7-11H,1-3,5-6H2
InChIKeyJLEIBHWFANDFMH-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.77
Rot. Bonds3

About 1-cyclohexyl-4-(furan-2-yloxy)pyrazole

1-cyclohexyl-4-(furan-2-yloxy)pyrazole (PubChem CID 117234003) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-cyclohexyl-4-(furan-2-yloxy)pyrazole.

Molecular Properties

Compound Name1-cyclohexyl-4-(furan-2-yloxy)pyrazole
PubChem CID117234003
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-cyclohexyl-4-(furan-2-yloxy)pyrazole
SMILESc1coc(Oc2cnn(C3CCCCC3)c2)c1
InChIInChI=1S/C13H16N2O2/c1-2-5-11(6-3-1)15-10-12(9-14-15)17-13-7-4-8-16-13/h4,7-11H,1-3,5-6H2
InChIKeyJLEIBHWFANDFMH-UHFFFAOYSA-N
XLogP3.77
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(furan-2-yloxy)pyrazole?
The IUPAC name of 1-cyclohexyl-4-(furan-2-yloxy)pyrazole (CID 117234003) is 1-cyclohexyl-4-(furan-2-yloxy)pyrazole.
What is the SMILES notation for 1-cyclohexyl-4-(furan-2-yloxy)pyrazole?
The canonical SMILES for 1-cyclohexyl-4-(furan-2-yloxy)pyrazole is c1coc(Oc2cnn(C3CCCCC3)c2)c1.
What is the InChIKey of 1-cyclohexyl-4-(furan-2-yloxy)pyrazole?
The InChIKey is JLEIBHWFANDFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-5-11(6-3-1)15-10-12(9-14-15)17-13-7-4-8-16-13/h4,7-11H,1-3,5-6H2.
What are the key properties of 1-cyclohexyl-4-(furan-2-yloxy)pyrazole?
1-cyclohexyl-4-(furan-2-yloxy)pyrazole has a molecular weight of 232.28 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(furan-2-yloxy)pyrazole is sourced from PubChem (CID 117234003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).