4-(5-chlorofuran-2-yl)oxy-1-methylpyrazole

C8H7ClN2O2 — CID 117233480

IUPAC4-(5-chlorofuran-2-yl)oxy-1-methylpyrazole
SMILESCn1cc(Oc2ccc(Cl)o2)cn1
InChIInChI=1S/C8H7ClN2O2/c1-11-5-6(4-10-11)12-8-3-2-7(9)13-8/h2-5H,1H3
InChIKeyAFOQBVLBYIYCRJ-UHFFFAOYSA-N
MW198.61 g/mol
LogP2.46
Rot. Bonds2

About 4-(5-chlorofuran-2-yl)oxy-1-methylpyrazole

4-(5-chlorofuran-2-yl)oxy-1-methylpyrazole (PubChem CID 117233480) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is 4-(5-chlorofuran-2-yl)oxy-1-methylpyrazole.

Molecular Properties

Compound Name4-(5-chlorofuran-2-yl)oxy-1-methylpyrazole
PubChem CID117233480
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name4-(5-chlorofuran-2-yl)oxy-1-methylpyrazole
SMILESCn1cc(Oc2ccc(Cl)o2)cn1
InChIInChI=1S/C8H7ClN2O2/c1-11-5-6(4-10-11)12-8-3-2-7(9)13-8/h2-5H,1H3
InChIKeyAFOQBVLBYIYCRJ-UHFFFAOYSA-N
XLogP2.46
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorofuran-2-yl)oxy-1-methylpyrazole?
The IUPAC name of 4-(5-chlorofuran-2-yl)oxy-1-methylpyrazole (CID 117233480) is 4-(5-chlorofuran-2-yl)oxy-1-methylpyrazole.
What is the SMILES notation for 4-(5-chlorofuran-2-yl)oxy-1-methylpyrazole?
The canonical SMILES for 4-(5-chlorofuran-2-yl)oxy-1-methylpyrazole is Cn1cc(Oc2ccc(Cl)o2)cn1.
What is the InChIKey of 4-(5-chlorofuran-2-yl)oxy-1-methylpyrazole?
The InChIKey is AFOQBVLBYIYCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c1-11-5-6(4-10-11)12-8-3-2-7(9)13-8/h2-5H,1H3.
What are the key properties of 4-(5-chlorofuran-2-yl)oxy-1-methylpyrazole?
4-(5-chlorofuran-2-yl)oxy-1-methylpyrazole has a molecular weight of 198.61 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorofuran-2-yl)oxy-1-methylpyrazole is sourced from PubChem (CID 117233480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).