4-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine

C23H33N3O — CID 155545737

IUPAC4-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
SMILESCC(C)c1ccc(-c2cc(CN3CCOCC3)nn2C2CCCCC2)cc1
InChIInChI=1S/C23H33N3O/c1-18(2)19-8-10-20(11-9-19)23-16-21(17-25-12-14-27-15-13-25)24-26(23)22-6-4-3-5-7-22/h8-11,16,18,22H,3-7,12-15,17H2,1-2H3
InChIKeyMOYZECYOSUOYQP-UHFFFAOYSA-N
MW367.54 g/mol
LogP5.01
Rot. Bonds5

About 4-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine

4-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine (PubChem CID 155545737) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 4-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
PubChem CID155545737
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name4-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
SMILESCC(C)c1ccc(-c2cc(CN3CCOCC3)nn2C2CCCCC2)cc1
InChIInChI=1S/C23H33N3O/c1-18(2)19-8-10-20(11-9-19)23-16-21(17-25-12-14-27-15-13-25)24-26(23)22-6-4-3-5-7-22/h8-11,16,18,22H,3-7,12-15,17H2,1-2H3
InChIKeyMOYZECYOSUOYQP-UHFFFAOYSA-N
XLogP5.01
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.54
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]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-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine (CID 155545737) is 4-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine is CC(C)c1ccc(-c2cc(CN3CCOCC3)nn2C2CCCCC2)cc1.
What is the InChIKey of 4-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
The InChIKey is MOYZECYOSUOYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-18(2)19-8-10-20(11-9-19)23-16-21(17-25-12-14-27-15-13-25)24-26(23)22-6-4-3-5-7-22/h8-11,16,18,22H,3-7,12-15,17H2,1-2H3.
What are the key properties of 4-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine?
4-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine has a molecular weight of 367.54 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine is sourced from PubChem (CID 155545737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).