1-[2-[2-(furan-2-yl)phenoxy]ethyl]-3-methylpyrazole

C16H16N2O2 — CID 168526302

IUPAC1-[2-[2-(furan-2-yl)phenoxy]ethyl]-3-methylpyrazole
SMILESCc1ccn(CCOc2ccccc2-c2ccco2)n1
InChIInChI=1S/C16H16N2O2/c1-13-8-9-18(17-13)10-12-20-15-6-3-2-5-14(15)16-7-4-11-19-16/h2-9,11H,10,12H2,1H3
InChIKeyVBJPUHBBINFEKT-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.53
Rot. Bonds5

About 1-[2-[2-(furan-2-yl)phenoxy]ethyl]-3-methylpyrazole

1-[2-[2-(furan-2-yl)phenoxy]ethyl]-3-methylpyrazole (PubChem CID 168526302) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[2-[2-(furan-2-yl)phenoxy]ethyl]-3-methylpyrazole.

Molecular Properties

Compound Name1-[2-[2-(furan-2-yl)phenoxy]ethyl]-3-methylpyrazole
PubChem CID168526302
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-[2-[2-(furan-2-yl)phenoxy]ethyl]-3-methylpyrazole
SMILESCc1ccn(CCOc2ccccc2-c2ccco2)n1
InChIInChI=1S/C16H16N2O2/c1-13-8-9-18(17-13)10-12-20-15-6-3-2-5-14(15)16-7-4-11-19-16/h2-9,11H,10,12H2,1H3
InChIKeyVBJPUHBBINFEKT-UHFFFAOYSA-N
XLogP3.53
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(furan-2-yl)phenoxy]ethyl]-3-methylpyrazole?
The IUPAC name of 1-[2-[2-(furan-2-yl)phenoxy]ethyl]-3-methylpyrazole (CID 168526302) is 1-[2-[2-(furan-2-yl)phenoxy]ethyl]-3-methylpyrazole.
What is the SMILES notation for 1-[2-[2-(furan-2-yl)phenoxy]ethyl]-3-methylpyrazole?
The canonical SMILES for 1-[2-[2-(furan-2-yl)phenoxy]ethyl]-3-methylpyrazole is Cc1ccn(CCOc2ccccc2-c2ccco2)n1.
What is the InChIKey of 1-[2-[2-(furan-2-yl)phenoxy]ethyl]-3-methylpyrazole?
The InChIKey is VBJPUHBBINFEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-13-8-9-18(17-13)10-12-20-15-6-3-2-5-14(15)16-7-4-11-19-16/h2-9,11H,10,12H2,1H3.
What are the key properties of 1-[2-[2-(furan-2-yl)phenoxy]ethyl]-3-methylpyrazole?
1-[2-[2-(furan-2-yl)phenoxy]ethyl]-3-methylpyrazole has a molecular weight of 268.32 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(furan-2-yl)phenoxy]ethyl]-3-methylpyrazole is sourced from PubChem (CID 168526302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).