1-(4-chlorophenyl)-4-ethoxypyrazole

C11H11ClN2O — CID 117229689

IUPAC1-(4-chlorophenyl)-4-ethoxypyrazole
SMILESCCOc1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C11H11ClN2O/c1-2-15-11-7-13-14(8-11)10-5-3-9(12)4-6-10/h3-8H,2H2,1H3
InChIKeyOFZNWMGVBBSUBA-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.92
Rot. Bonds3

About 1-(4-chlorophenyl)-4-ethoxypyrazole

1-(4-chlorophenyl)-4-ethoxypyrazole (PubChem CID 117229689) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-ethoxypyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-ethoxypyrazole
PubChem CID117229689
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name1-(4-chlorophenyl)-4-ethoxypyrazole
SMILESCCOc1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C11H11ClN2O/c1-2-15-11-7-13-14(8-11)10-5-3-9(12)4-6-10/h3-8H,2H2,1H3
InChIKeyOFZNWMGVBBSUBA-UHFFFAOYSA-N
XLogP2.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-ethoxypyrazole?
The IUPAC name of 1-(4-chlorophenyl)-4-ethoxypyrazole (CID 117229689) is 1-(4-chlorophenyl)-4-ethoxypyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-4-ethoxypyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-4-ethoxypyrazole is CCOc1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-4-ethoxypyrazole?
The InChIKey is OFZNWMGVBBSUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-2-15-11-7-13-14(8-11)10-5-3-9(12)4-6-10/h3-8H,2H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-ethoxypyrazole?
1-(4-chlorophenyl)-4-ethoxypyrazole has a molecular weight of 222.68 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-ethoxypyrazole is sourced from PubChem (CID 117229689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).