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

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Related Compounds

1-(2-Hydroxyethyl)-3,5-diphenyl-1H-pyrazole
CID 128748
2-[3-(4-Methylphenyl)-1-phenylpyrazol-4-yl]-1-morpholin-4-ylethanethione
CID 2121563
4,5,6,7-tetrahydro-4-(2-(morpholin-4-yl)ethyl)-1-phenyl-1H-indazole
CID 11531451
US12391696, Example 1
CID 155591380
1-Benzyl-4-(3-methyl-5-phenyl-pyrazol-1-yl)-piperidine
CID 44459452
4-[[2-Methyl-1-(2-methylpropyl)-5-(4-propan-2-ylphenyl)pyrrol-3-yl]methyl]morpholine
CID 145981699
4-[[1-Cyclohexyl-2-methyl-5-(4-propan-2-ylphenyl)pyrrol-3-yl]methyl]morpholine
CID 145982242
4-[[1-Cyclobutyl-2-methyl-5-(4-propan-2-ylphenyl)pyrrol-3-yl]methyl]morpholine
CID 145986409
4-[[2-Methyl-1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrrol-3-yl]methyl]morpholine
CID 145993537
1-[[1-Cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
CID 155516584
Tert-butyl 4-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperazine-1-carboxylate
CID 155521275
1-[[1-Cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine
CID 155526986

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).