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

C14H18N2O2 — CID 117234155

IUPAC1-cyclohexyl-4-(furan-2-ylmethoxy)pyrazole
SMILESc1coc(COc2cnn(C3CCCCC3)c2)c1
InChIInChI=1S/C14H18N2O2/c1-2-5-12(6-3-1)16-10-14(9-15-16)18-11-13-7-4-8-17-13/h4,7-10,12H,1-3,5-6,11H2
InChIKeyCENZSARRZCJFKD-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.56
Rot. Bonds4

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

1-cyclohexyl-4-(furan-2-ylmethoxy)pyrazole (PubChem CID 117234155) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-cyclohexyl-4-(furan-2-ylmethoxy)pyrazole.

Molecular Properties

Compound Name1-cyclohexyl-4-(furan-2-ylmethoxy)pyrazole
PubChem CID117234155
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-cyclohexyl-4-(furan-2-ylmethoxy)pyrazole
SMILESc1coc(COc2cnn(C3CCCCC3)c2)c1
InChIInChI=1S/C14H18N2O2/c1-2-5-12(6-3-1)16-10-14(9-15-16)18-11-13-7-4-8-17-13/h4,7-10,12H,1-3,5-6,11H2
InChIKeyCENZSARRZCJFKD-UHFFFAOYSA-N
XLogP3.56
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.56
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-ylmethoxy)pyrazole?
The IUPAC name of 1-cyclohexyl-4-(furan-2-ylmethoxy)pyrazole (CID 117234155) is 1-cyclohexyl-4-(furan-2-ylmethoxy)pyrazole.
What is the SMILES notation for 1-cyclohexyl-4-(furan-2-ylmethoxy)pyrazole?
The canonical SMILES for 1-cyclohexyl-4-(furan-2-ylmethoxy)pyrazole is c1coc(COc2cnn(C3CCCCC3)c2)c1.
What is the InChIKey of 1-cyclohexyl-4-(furan-2-ylmethoxy)pyrazole?
The InChIKey is CENZSARRZCJFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-5-12(6-3-1)16-10-14(9-15-16)18-11-13-7-4-8-17-13/h4,7-10,12H,1-3,5-6,11H2.
What are the key properties of 1-cyclohexyl-4-(furan-2-ylmethoxy)pyrazole?
1-cyclohexyl-4-(furan-2-ylmethoxy)pyrazole has a molecular weight of 246.31 g/mol, XLogP of 3.56, 4 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-ylmethoxy)pyrazole is sourced from PubChem (CID 117234155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).