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

C14H12N2O2 — CID 117233981

IUPAC1-benzyl-4-(furan-2-yloxy)pyrazole
SMILESc1ccc(Cn2cc(Oc3ccco3)cn2)cc1
InChIInChI=1S/C14H12N2O2/c1-2-5-12(6-3-1)10-16-11-13(9-15-16)18-14-7-4-8-17-14/h1-9,11H,10H2
InChIKeyLEFIHGRYYKXINZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.32
Rot. Bonds4

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

1-benzyl-4-(furan-2-yloxy)pyrazole (PubChem CID 117233981) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-benzyl-4-(furan-2-yloxy)pyrazole.

Molecular Properties

Compound Name1-benzyl-4-(furan-2-yloxy)pyrazole
PubChem CID117233981
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1-benzyl-4-(furan-2-yloxy)pyrazole
SMILESc1ccc(Cn2cc(Oc3ccco3)cn2)cc1
InChIInChI=1S/C14H12N2O2/c1-2-5-12(6-3-1)10-16-11-13(9-15-16)18-14-7-4-8-17-14/h1-9,11H,10H2
InChIKeyLEFIHGRYYKXINZ-UHFFFAOYSA-N
XLogP3.32
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(furan-2-yloxy)pyrazole?
The IUPAC name of 1-benzyl-4-(furan-2-yloxy)pyrazole (CID 117233981) is 1-benzyl-4-(furan-2-yloxy)pyrazole.
What is the SMILES notation for 1-benzyl-4-(furan-2-yloxy)pyrazole?
The canonical SMILES for 1-benzyl-4-(furan-2-yloxy)pyrazole is c1ccc(Cn2cc(Oc3ccco3)cn2)cc1.
What is the InChIKey of 1-benzyl-4-(furan-2-yloxy)pyrazole?
The InChIKey is LEFIHGRYYKXINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-2-5-12(6-3-1)10-16-11-13(9-15-16)18-14-7-4-8-17-14/h1-9,11H,10H2.
What are the key properties of 1-benzyl-4-(furan-2-yloxy)pyrazole?
1-benzyl-4-(furan-2-yloxy)pyrazole has a molecular weight of 240.26 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(furan-2-yloxy)pyrazole is sourced from PubChem (CID 117233981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).