1-cyclohexyl-4-(5-methylfuran-2-yl)oxypyrazole

C14H18N2O2 — CID 117234004

IUPAC1-cyclohexyl-4-(5-methylfuran-2-yl)oxypyrazole
SMILESCc1ccc(Oc2cnn(C3CCCCC3)c2)o1
InChIInChI=1S/C14H18N2O2/c1-11-7-8-14(17-11)18-13-9-15-16(10-13)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3
InChIKeyUXZNTMGZDVGOKD-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.08
Rot. Bonds3

About 1-cyclohexyl-4-(5-methylfuran-2-yl)oxypyrazole

1-cyclohexyl-4-(5-methylfuran-2-yl)oxypyrazole (PubChem CID 117234004) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-cyclohexyl-4-(5-methylfuran-2-yl)oxypyrazole.

Molecular Properties

Compound Name1-cyclohexyl-4-(5-methylfuran-2-yl)oxypyrazole
PubChem CID117234004
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-cyclohexyl-4-(5-methylfuran-2-yl)oxypyrazole
SMILESCc1ccc(Oc2cnn(C3CCCCC3)c2)o1
InChIInChI=1S/C14H18N2O2/c1-11-7-8-14(17-11)18-13-9-15-16(10-13)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3
InChIKeyUXZNTMGZDVGOKD-UHFFFAOYSA-N
XLogP4.08
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(5-methylfuran-2-yl)oxypyrazole?
The IUPAC name of 1-cyclohexyl-4-(5-methylfuran-2-yl)oxypyrazole (CID 117234004) is 1-cyclohexyl-4-(5-methylfuran-2-yl)oxypyrazole.
What is the SMILES notation for 1-cyclohexyl-4-(5-methylfuran-2-yl)oxypyrazole?
The canonical SMILES for 1-cyclohexyl-4-(5-methylfuran-2-yl)oxypyrazole is Cc1ccc(Oc2cnn(C3CCCCC3)c2)o1.
What is the InChIKey of 1-cyclohexyl-4-(5-methylfuran-2-yl)oxypyrazole?
The InChIKey is UXZNTMGZDVGOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11-7-8-14(17-11)18-13-9-15-16(10-13)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3.
What are the key properties of 1-cyclohexyl-4-(5-methylfuran-2-yl)oxypyrazole?
1-cyclohexyl-4-(5-methylfuran-2-yl)oxypyrazole has a molecular weight of 246.31 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(5-methylfuran-2-yl)oxypyrazole is sourced from PubChem (CID 117234004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).