2-fluoro-4-methyl-6-[3-(1-methylpyrazol-4-yl)oxyazetidin-1-yl]benzonitrile

C15H15FN4O — CID 166307037

IUPAC2-fluoro-4-methyl-6-[3-(1-methylpyrazol-4-yl)oxyazetidin-1-yl]benzonitrile
SMILESCc1cc(F)c(C#N)c(N2CC(Oc3cnn(C)c3)C2)c1
InChIInChI=1S/C15H15FN4O/c1-10-3-14(16)13(5-17)15(4-10)20-8-12(9-20)21-11-6-18-19(2)7-11/h3-4,6-7,12H,8-9H2,1-2H3
InChIKeyIEDRTFBDAPODKS-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.01
Rot. Bonds3

About 2-fluoro-4-methyl-6-[3-(1-methylpyrazol-4-yl)oxyazetidin-1-yl]benzonitrile

2-fluoro-4-methyl-6-[3-(1-methylpyrazol-4-yl)oxyazetidin-1-yl]benzonitrile (PubChem CID 166307037) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-fluoro-4-methyl-6-[3-(1-methylpyrazol-4-yl)oxyazetidin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-methyl-6-[3-(1-methylpyrazol-4-yl)oxyazetidin-1-yl]benzonitrile
PubChem CID166307037
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name2-fluoro-4-methyl-6-[3-(1-methylpyrazol-4-yl)oxyazetidin-1-yl]benzonitrile
SMILESCc1cc(F)c(C#N)c(N2CC(Oc3cnn(C)c3)C2)c1
InChIInChI=1S/C15H15FN4O/c1-10-3-14(16)13(5-17)15(4-10)20-8-12(9-20)21-11-6-18-19(2)7-11/h3-4,6-7,12H,8-9H2,1-2H3
InChIKeyIEDRTFBDAPODKS-UHFFFAOYSA-N
XLogP2.01
TPSA54.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-4-methyl-6-[3-(1-methylpyrazol-4-yl)oxyazetidin-1-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-6-[3-(1-methylpyrazol-4-yl)oxyazetidin-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-4-methyl-6-[3-(1-methylpyrazol-4-yl)oxyazetidin-1-yl]benzonitrile (CID 166307037) is 2-fluoro-4-methyl-6-[3-(1-methylpyrazol-4-yl)oxyazetidin-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-methyl-6-[3-(1-methylpyrazol-4-yl)oxyazetidin-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-4-methyl-6-[3-(1-methylpyrazol-4-yl)oxyazetidin-1-yl]benzonitrile is Cc1cc(F)c(C#N)c(N2CC(Oc3cnn(C)c3)C2)c1.
What is the InChIKey of 2-fluoro-4-methyl-6-[3-(1-methylpyrazol-4-yl)oxyazetidin-1-yl]benzonitrile?
The InChIKey is IEDRTFBDAPODKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-10-3-14(16)13(5-17)15(4-10)20-8-12(9-20)21-11-6-18-19(2)7-11/h3-4,6-7,12H,8-9H2,1-2H3.
What are the key properties of 2-fluoro-4-methyl-6-[3-(1-methylpyrazol-4-yl)oxyazetidin-1-yl]benzonitrile?
2-fluoro-4-methyl-6-[3-(1-methylpyrazol-4-yl)oxyazetidin-1-yl]benzonitrile has a molecular weight of 286.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-6-[3-(1-methylpyrazol-4-yl)oxyazetidin-1-yl]benzonitrile is sourced from PubChem (CID 166307037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).