1-cyclopentyl-4-(5-methylfuran-2-yl)oxypyrazole

C13H16N2O2 — CID 117233996

IUPAC1-cyclopentyl-4-(5-methylfuran-2-yl)oxypyrazole
SMILESCc1ccc(Oc2cnn(C3CCCC3)c2)o1
InChIInChI=1S/C13H16N2O2/c1-10-6-7-13(16-10)17-12-8-14-15(9-12)11-4-2-3-5-11/h6-9,11H,2-5H2,1H3
InChIKeyZYZSZTDARXPKAY-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.69
Rot. Bonds3

About 1-cyclopentyl-4-(5-methylfuran-2-yl)oxypyrazole

1-cyclopentyl-4-(5-methylfuran-2-yl)oxypyrazole (PubChem CID 117233996) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-cyclopentyl-4-(5-methylfuran-2-yl)oxypyrazole.

Molecular Properties

Compound Name1-cyclopentyl-4-(5-methylfuran-2-yl)oxypyrazole
PubChem CID117233996
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-cyclopentyl-4-(5-methylfuran-2-yl)oxypyrazole
SMILESCc1ccc(Oc2cnn(C3CCCC3)c2)o1
InChIInChI=1S/C13H16N2O2/c1-10-6-7-13(16-10)17-12-8-14-15(9-12)11-4-2-3-5-11/h6-9,11H,2-5H2,1H3
InChIKeyZYZSZTDARXPKAY-UHFFFAOYSA-N
XLogP3.69
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(5-methylfuran-2-yl)oxypyrazole?
The IUPAC name of 1-cyclopentyl-4-(5-methylfuran-2-yl)oxypyrazole (CID 117233996) is 1-cyclopentyl-4-(5-methylfuran-2-yl)oxypyrazole.
What is the SMILES notation for 1-cyclopentyl-4-(5-methylfuran-2-yl)oxypyrazole?
The canonical SMILES for 1-cyclopentyl-4-(5-methylfuran-2-yl)oxypyrazole is Cc1ccc(Oc2cnn(C3CCCC3)c2)o1.
What is the InChIKey of 1-cyclopentyl-4-(5-methylfuran-2-yl)oxypyrazole?
The InChIKey is ZYZSZTDARXPKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10-6-7-13(16-10)17-12-8-14-15(9-12)11-4-2-3-5-11/h6-9,11H,2-5H2,1H3.
What are the key properties of 1-cyclopentyl-4-(5-methylfuran-2-yl)oxypyrazole?
1-cyclopentyl-4-(5-methylfuran-2-yl)oxypyrazole has a molecular weight of 232.28 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(5-methylfuran-2-yl)oxypyrazole is sourced from PubChem (CID 117233996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).