4-(furan-3-ylmethoxy)-1-propylpyrazole

C11H14N2O2 — CID 116804849

IUPAC4-(furan-3-ylmethoxy)-1-propylpyrazole
SMILESCCCn1cc(OCc2ccoc2)cn1
InChIInChI=1S/C11H14N2O2/c1-2-4-13-7-11(6-12-13)15-9-10-3-5-14-8-10/h3,5-8H,2,4,9H2,1H3
InChIKeySLOZCEDDSHESEH-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.47
Rot. Bonds5

About 4-(furan-3-ylmethoxy)-1-propylpyrazole

4-(furan-3-ylmethoxy)-1-propylpyrazole (PubChem CID 116804849) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-(furan-3-ylmethoxy)-1-propylpyrazole.

Molecular Properties

Compound Name4-(furan-3-ylmethoxy)-1-propylpyrazole
PubChem CID116804849
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name4-(furan-3-ylmethoxy)-1-propylpyrazole
SMILESCCCn1cc(OCc2ccoc2)cn1
InChIInChI=1S/C11H14N2O2/c1-2-4-13-7-11(6-12-13)15-9-10-3-5-14-8-10/h3,5-8H,2,4,9H2,1H3
InChIKeySLOZCEDDSHESEH-UHFFFAOYSA-N
XLogP2.47
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-ylmethoxy)-1-propylpyrazole?
The IUPAC name of 4-(furan-3-ylmethoxy)-1-propylpyrazole (CID 116804849) is 4-(furan-3-ylmethoxy)-1-propylpyrazole.
What is the SMILES notation for 4-(furan-3-ylmethoxy)-1-propylpyrazole?
The canonical SMILES for 4-(furan-3-ylmethoxy)-1-propylpyrazole is CCCn1cc(OCc2ccoc2)cn1.
What is the InChIKey of 4-(furan-3-ylmethoxy)-1-propylpyrazole?
The InChIKey is SLOZCEDDSHESEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-4-13-7-11(6-12-13)15-9-10-3-5-14-8-10/h3,5-8H,2,4,9H2,1H3.
What are the key properties of 4-(furan-3-ylmethoxy)-1-propylpyrazole?
4-(furan-3-ylmethoxy)-1-propylpyrazole has a molecular weight of 206.24 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-ylmethoxy)-1-propylpyrazole is sourced from PubChem (CID 116804849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).