4-(5-bromofuran-2-yl)oxy-1-cyclopentylpyrazole

C12H13BrN2O2 — CID 117233998

IUPAC4-(5-bromofuran-2-yl)oxy-1-cyclopentylpyrazole
SMILESBrc1ccc(Oc2cnn(C3CCCC3)c2)o1
InChIInChI=1S/C12H13BrN2O2/c13-11-5-6-12(17-11)16-10-7-14-15(8-10)9-3-1-2-4-9/h5-9H,1-4H2
InChIKeyTYQYJGBSYAQXFH-UHFFFAOYSA-N
MW297.15 g/mol
LogP4.15
Rot. Bonds3

About 4-(5-bromofuran-2-yl)oxy-1-cyclopentylpyrazole

4-(5-bromofuran-2-yl)oxy-1-cyclopentylpyrazole (PubChem CID 117233998) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 4-(5-bromofuran-2-yl)oxy-1-cyclopentylpyrazole.

Molecular Properties

Compound Name4-(5-bromofuran-2-yl)oxy-1-cyclopentylpyrazole
PubChem CID117233998
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name4-(5-bromofuran-2-yl)oxy-1-cyclopentylpyrazole
SMILESBrc1ccc(Oc2cnn(C3CCCC3)c2)o1
InChIInChI=1S/C12H13BrN2O2/c13-11-5-6-12(17-11)16-10-7-14-15(8-10)9-3-1-2-4-9/h5-9H,1-4H2
InChIKeyTYQYJGBSYAQXFH-UHFFFAOYSA-N
XLogP4.15
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromofuran-2-yl)oxy-1-cyclopentylpyrazole?
The IUPAC name of 4-(5-bromofuran-2-yl)oxy-1-cyclopentylpyrazole (CID 117233998) is 4-(5-bromofuran-2-yl)oxy-1-cyclopentylpyrazole.
What is the SMILES notation for 4-(5-bromofuran-2-yl)oxy-1-cyclopentylpyrazole?
The canonical SMILES for 4-(5-bromofuran-2-yl)oxy-1-cyclopentylpyrazole is Brc1ccc(Oc2cnn(C3CCCC3)c2)o1.
What is the InChIKey of 4-(5-bromofuran-2-yl)oxy-1-cyclopentylpyrazole?
The InChIKey is TYQYJGBSYAQXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c13-11-5-6-12(17-11)16-10-7-14-15(8-10)9-3-1-2-4-9/h5-9H,1-4H2.
What are the key properties of 4-(5-bromofuran-2-yl)oxy-1-cyclopentylpyrazole?
4-(5-bromofuran-2-yl)oxy-1-cyclopentylpyrazole has a molecular weight of 297.15 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromofuran-2-yl)oxy-1-cyclopentylpyrazole is sourced from PubChem (CID 117233998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).