4-(furan-2-yl)-1-methylpyrazole

C8H8N2O — CID 13288952

IUPAC4-(furan-2-yl)-1-methylpyrazole
SMILESCn1cc(-c2ccco2)cn1
InChIInChI=1S/C8H8N2O/c1-10-6-7(5-9-10)8-3-2-4-11-8/h2-6H,1H3
InChIKeyCYHHSKAEQFIMQZ-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.68
Rot. Bonds1

About 4-(furan-2-yl)-1-methylpyrazole

4-(furan-2-yl)-1-methylpyrazole (PubChem CID 13288952) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 4-(furan-2-yl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(furan-2-yl)-1-methylpyrazole
PubChem CID13288952
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name4-(furan-2-yl)-1-methylpyrazole
SMILESCn1cc(-c2ccco2)cn1
InChIInChI=1S/C8H8N2O/c1-10-6-7(5-9-10)8-3-2-4-11-8/h2-6H,1H3
InChIKeyCYHHSKAEQFIMQZ-UHFFFAOYSA-N
XLogP1.68
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1-methylpyrazole?
The IUPAC name of 4-(furan-2-yl)-1-methylpyrazole (CID 13288952) is 4-(furan-2-yl)-1-methylpyrazole.
What is the SMILES notation for 4-(furan-2-yl)-1-methylpyrazole?
The canonical SMILES for 4-(furan-2-yl)-1-methylpyrazole is Cn1cc(-c2ccco2)cn1.
What is the InChIKey of 4-(furan-2-yl)-1-methylpyrazole?
The InChIKey is CYHHSKAEQFIMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-10-6-7(5-9-10)8-3-2-4-11-8/h2-6H,1H3.
What are the key properties of 4-(furan-2-yl)-1-methylpyrazole?
4-(furan-2-yl)-1-methylpyrazole has a molecular weight of 148.16 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1-methylpyrazole is sourced from PubChem (CID 13288952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).