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

C13H15BrN2O2 — CID 117234006

IUPAC4-(5-bromofuran-2-yl)oxy-1-cyclohexylpyrazole
SMILESBrc1ccc(Oc2cnn(C3CCCCC3)c2)o1
InChIInChI=1S/C13H15BrN2O2/c14-12-6-7-13(18-12)17-11-8-15-16(9-11)10-4-2-1-3-5-10/h6-10H,1-5H2
InChIKeyNQACWZNNHXFMRX-UHFFFAOYSA-N
MW311.18 g/mol
LogP4.54
Rot. Bonds3

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

4-(5-bromofuran-2-yl)oxy-1-cyclohexylpyrazole (PubChem CID 117234006) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 4-(5-bromofuran-2-yl)oxy-1-cyclohexylpyrazole.

Molecular Properties

Compound Name4-(5-bromofuran-2-yl)oxy-1-cyclohexylpyrazole
PubChem CID117234006
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name4-(5-bromofuran-2-yl)oxy-1-cyclohexylpyrazole
SMILESBrc1ccc(Oc2cnn(C3CCCCC3)c2)o1
InChIInChI=1S/C13H15BrN2O2/c14-12-6-7-13(18-12)17-11-8-15-16(9-11)10-4-2-1-3-5-10/h6-10H,1-5H2
InChIKeyNQACWZNNHXFMRX-UHFFFAOYSA-N
XLogP4.54
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 54.54
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-cyclohexylpyrazole?
The IUPAC name of 4-(5-bromofuran-2-yl)oxy-1-cyclohexylpyrazole (CID 117234006) is 4-(5-bromofuran-2-yl)oxy-1-cyclohexylpyrazole.
What is the SMILES notation for 4-(5-bromofuran-2-yl)oxy-1-cyclohexylpyrazole?
The canonical SMILES for 4-(5-bromofuran-2-yl)oxy-1-cyclohexylpyrazole is Brc1ccc(Oc2cnn(C3CCCCC3)c2)o1.
What is the InChIKey of 4-(5-bromofuran-2-yl)oxy-1-cyclohexylpyrazole?
The InChIKey is NQACWZNNHXFMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c14-12-6-7-13(18-12)17-11-8-15-16(9-11)10-4-2-1-3-5-10/h6-10H,1-5H2.
What are the key properties of 4-(5-bromofuran-2-yl)oxy-1-cyclohexylpyrazole?
4-(5-bromofuran-2-yl)oxy-1-cyclohexylpyrazole has a molecular weight of 311.18 g/mol, XLogP of 4.54, 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-cyclohexylpyrazole is sourced from PubChem (CID 117234006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).