4-(azetidin-3-yloxy)-1-(2-phenylethyl)pyrazole

C14H17N3O — CID 164885760

IUPAC4-(azetidin-3-yloxy)-1-(2-phenylethyl)pyrazole
SMILESc1ccc(CCn2cc(OC3CNC3)cn2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-12(5-3-1)6-7-17-11-14(10-16-17)18-13-8-15-9-13/h1-5,10-11,13,15H,6-9H2
InChIKeyMFAPTFGGQXZMDK-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.48
Rot. Bonds5

About 4-(azetidin-3-yloxy)-1-(2-phenylethyl)pyrazole

4-(azetidin-3-yloxy)-1-(2-phenylethyl)pyrazole (PubChem CID 164885760) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(azetidin-3-yloxy)-1-(2-phenylethyl)pyrazole.

Molecular Properties

Compound Name4-(azetidin-3-yloxy)-1-(2-phenylethyl)pyrazole
PubChem CID164885760
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-(azetidin-3-yloxy)-1-(2-phenylethyl)pyrazole
SMILESc1ccc(CCn2cc(OC3CNC3)cn2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-12(5-3-1)6-7-17-11-14(10-16-17)18-13-8-15-9-13/h1-5,10-11,13,15H,6-9H2
InChIKeyMFAPTFGGQXZMDK-UHFFFAOYSA-N
XLogP1.48
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yloxy)-1-(2-phenylethyl)pyrazole?
The IUPAC name of 4-(azetidin-3-yloxy)-1-(2-phenylethyl)pyrazole (CID 164885760) is 4-(azetidin-3-yloxy)-1-(2-phenylethyl)pyrazole.
What is the SMILES notation for 4-(azetidin-3-yloxy)-1-(2-phenylethyl)pyrazole?
The canonical SMILES for 4-(azetidin-3-yloxy)-1-(2-phenylethyl)pyrazole is c1ccc(CCn2cc(OC3CNC3)cn2)cc1.
What is the InChIKey of 4-(azetidin-3-yloxy)-1-(2-phenylethyl)pyrazole?
The InChIKey is MFAPTFGGQXZMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-4-12(5-3-1)6-7-17-11-14(10-16-17)18-13-8-15-9-13/h1-5,10-11,13,15H,6-9H2.
What are the key properties of 4-(azetidin-3-yloxy)-1-(2-phenylethyl)pyrazole?
4-(azetidin-3-yloxy)-1-(2-phenylethyl)pyrazole has a molecular weight of 243.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxy)-1-(2-phenylethyl)pyrazole is sourced from PubChem (CID 164885760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).