3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole

C17H20N2O — CID 166304772

IUPAC3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole
SMILESc1cc(C2CC2)ccc1-c1ccn(C2CCOCC2)n1
InChIInChI=1S/C17H20N2O/c1-2-13(1)14-3-5-15(6-4-14)17-7-10-19(18-17)16-8-11-20-12-9-16/h3-7,10,13,16H,1-2,8-9,11-12H2
InChIKeyHORZTILNEIJSBJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.78
Rot. Bonds3

About 3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole

3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole (PubChem CID 166304772) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole.

Molecular Properties

Compound Name3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole
PubChem CID166304772
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole
SMILESc1cc(C2CC2)ccc1-c1ccn(C2CCOCC2)n1
InChIInChI=1S/C17H20N2O/c1-2-13(1)14-3-5-15(6-4-14)17-7-10-19(18-17)16-8-11-20-12-9-16/h3-7,10,13,16H,1-2,8-9,11-12H2
InChIKeyHORZTILNEIJSBJ-UHFFFAOYSA-N
XLogP3.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole?
The IUPAC name of 3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole (CID 166304772) is 3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole.
What is the SMILES notation for 3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole?
The canonical SMILES for 3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole is c1cc(C2CC2)ccc1-c1ccn(C2CCOCC2)n1.
What is the InChIKey of 3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole?
The InChIKey is HORZTILNEIJSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-13(1)14-3-5-15(6-4-14)17-7-10-19(18-17)16-8-11-20-12-9-16/h3-7,10,13,16H,1-2,8-9,11-12H2.
What are the key properties of 3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole?
3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole has a molecular weight of 268.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole is sourced from PubChem (CID 166304772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).