4-[4-[1-[3-(3-methoxyazetidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine

C26H32N4O2 — CID 138707918

IUPAC4-[4-[1-[3-(3-methoxyazetidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine
SMILESCOC1CN(c2cccc(-n3cc(-c4ccc(N5CCOCC5)cc4)c(C(C)C)n3)c2)C1
InChIInChI=1S/C26H32N4O2/c1-19(2)26-25(20-7-9-21(10-8-20)28-11-13-32-14-12-28)18-30(27-26)23-6-4-5-22(15-23)29-16-24(17-29)31-3/h4-10,15,18-19,24H,11-14,16-17H2,1-3H3
InChIKeyVXBRRHQJYZMWRT-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.33
Rot. Bonds6

About 4-[4-[1-[3-(3-methoxyazetidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine

4-[4-[1-[3-(3-methoxyazetidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine (PubChem CID 138707918) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 4-[4-[1-[3-(3-methoxyazetidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[1-[3-(3-methoxyazetidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine
PubChem CID138707918
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name4-[4-[1-[3-(3-methoxyazetidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine
SMILESCOC1CN(c2cccc(-n3cc(-c4ccc(N5CCOCC5)cc4)c(C(C)C)n3)c2)C1
InChIInChI=1S/C26H32N4O2/c1-19(2)26-25(20-7-9-21(10-8-20)28-11-13-32-14-12-28)18-30(27-26)23-6-4-5-22(15-23)29-16-24(17-29)31-3/h4-10,15,18-19,24H,11-14,16-17H2,1-3H3
InChIKeyVXBRRHQJYZMWRT-UHFFFAOYSA-N
XLogP4.33
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[1-[3-(3-methoxyazetidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine 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 4-[4-[1-[3-(3-methoxyazetidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[1-[3-(3-methoxyazetidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine (CID 138707918) is 4-[4-[1-[3-(3-methoxyazetidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[1-[3-(3-methoxyazetidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[1-[3-(3-methoxyazetidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine is COC1CN(c2cccc(-n3cc(-c4ccc(N5CCOCC5)cc4)c(C(C)C)n3)c2)C1.
What is the InChIKey of 4-[4-[1-[3-(3-methoxyazetidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine?
The InChIKey is VXBRRHQJYZMWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-19(2)26-25(20-7-9-21(10-8-20)28-11-13-32-14-12-28)18-30(27-26)23-6-4-5-22(15-23)29-16-24(17-29)31-3/h4-10,15,18-19,24H,11-14,16-17H2,1-3H3.
What are the key properties of 4-[4-[1-[3-(3-methoxyazetidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine?
4-[4-[1-[3-(3-methoxyazetidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine has a molecular weight of 432.57 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[3-(3-methoxyazetidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine is sourced from PubChem (CID 138707918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).