1-(2-phenylethoxy)pyrazole

C11H12N2O — CID 90946856

IUPAC1-(2-phenylethoxy)pyrazole
SMILESc1ccc(CCOn2cccn2)cc1
InChIInChI=1S/C11H12N2O/c1-2-5-11(6-3-1)7-10-14-13-9-4-8-12-13/h1-6,8-9H,7,10H2
InChIKeyPIQVTIYCHWGULF-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.55
Rot. Bonds4

About 1-(2-phenylethoxy)pyrazole

1-(2-phenylethoxy)pyrazole (PubChem CID 90946856) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(2-phenylethoxy)pyrazole.

Molecular Properties

Compound Name1-(2-phenylethoxy)pyrazole
PubChem CID90946856
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-(2-phenylethoxy)pyrazole
SMILESc1ccc(CCOn2cccn2)cc1
InChIInChI=1S/C11H12N2O/c1-2-5-11(6-3-1)7-10-14-13-9-4-8-12-13/h1-6,8-9H,7,10H2
InChIKeyPIQVTIYCHWGULF-UHFFFAOYSA-N
XLogP1.55
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethoxy)pyrazole?
The IUPAC name of 1-(2-phenylethoxy)pyrazole (CID 90946856) is 1-(2-phenylethoxy)pyrazole.
What is the SMILES notation for 1-(2-phenylethoxy)pyrazole?
The canonical SMILES for 1-(2-phenylethoxy)pyrazole is c1ccc(CCOn2cccn2)cc1.
What is the InChIKey of 1-(2-phenylethoxy)pyrazole?
The InChIKey is PIQVTIYCHWGULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-5-11(6-3-1)7-10-14-13-9-4-8-12-13/h1-6,8-9H,7,10H2.
What are the key properties of 1-(2-phenylethoxy)pyrazole?
1-(2-phenylethoxy)pyrazole has a molecular weight of 188.23 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethoxy)pyrazole is sourced from PubChem (CID 90946856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).