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

C9H10N2O2 — CID 116794087

IUPAC4-(furan-2-ylmethoxy)-1-methylpyrazole
SMILESCn1cc(OCc2ccco2)cn1
InChIInChI=1S/C9H10N2O2/c1-11-6-9(5-10-11)13-7-8-3-2-4-12-8/h2-6H,7H2,1H3
InChIKeyDLQCLZTWYKOCPI-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.59
Rot. Bonds3

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

4-(furan-2-ylmethoxy)-1-methylpyrazole (PubChem CID 116794087) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-(furan-2-ylmethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name4-(furan-2-ylmethoxy)-1-methylpyrazole
PubChem CID116794087
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-(furan-2-ylmethoxy)-1-methylpyrazole
SMILESCn1cc(OCc2ccco2)cn1
InChIInChI=1S/C9H10N2O2/c1-11-6-9(5-10-11)13-7-8-3-2-4-12-8/h2-6H,7H2,1H3
InChIKeyDLQCLZTWYKOCPI-UHFFFAOYSA-N
XLogP1.59
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethoxy)-1-methylpyrazole?
The IUPAC name of 4-(furan-2-ylmethoxy)-1-methylpyrazole (CID 116794087) is 4-(furan-2-ylmethoxy)-1-methylpyrazole.
What is the SMILES notation for 4-(furan-2-ylmethoxy)-1-methylpyrazole?
The canonical SMILES for 4-(furan-2-ylmethoxy)-1-methylpyrazole is Cn1cc(OCc2ccco2)cn1.
What is the InChIKey of 4-(furan-2-ylmethoxy)-1-methylpyrazole?
The InChIKey is DLQCLZTWYKOCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-11-6-9(5-10-11)13-7-8-3-2-4-12-8/h2-6H,7H2,1H3.
What are the key properties of 4-(furan-2-ylmethoxy)-1-methylpyrazole?
4-(furan-2-ylmethoxy)-1-methylpyrazole has a molecular weight of 178.19 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethoxy)-1-methylpyrazole is sourced from PubChem (CID 116794087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).