[3-(3-methylphenoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C15H17N3O2 — CID 70724351

IUPAC[3-(3-methylphenoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1cccc(OC2CN(C(=O)c3cnn(C)c3)C2)c1
InChIInChI=1S/C15H17N3O2/c1-11-4-3-5-13(6-11)20-14-9-18(10-14)15(19)12-7-16-17(2)8-12/h3-8,14H,9-10H2,1-2H3
InChIKeyKNMASVHOWAPIJK-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.63
Rot. Bonds3

About [3-(3-methylphenoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[3-(3-methylphenoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 70724351) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is [3-(3-methylphenoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(3-methylphenoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID70724351
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name[3-(3-methylphenoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1cccc(OC2CN(C(=O)c3cnn(C)c3)C2)c1
InChIInChI=1S/C15H17N3O2/c1-11-4-3-5-13(6-11)20-14-9-18(10-14)15(19)12-7-16-17(2)8-12/h3-8,14H,9-10H2,1-2H3
InChIKeyKNMASVHOWAPIJK-UHFFFAOYSA-N
XLogP1.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methylphenoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [3-(3-methylphenoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 70724351) is [3-(3-methylphenoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-(3-methylphenoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [3-(3-methylphenoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cc1cccc(OC2CN(C(=O)c3cnn(C)c3)C2)c1.
What is the InChIKey of [3-(3-methylphenoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is KNMASVHOWAPIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-4-3-5-13(6-11)20-14-9-18(10-14)15(19)12-7-16-17(2)8-12/h3-8,14H,9-10H2,1-2H3.
What are the key properties of [3-(3-methylphenoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[3-(3-methylphenoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 271.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylphenoxy)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 70724351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).