4-[3-(1-cyclohexylpyrazol-3-yl)propyl]-2,6-dimethylmorpholine

C18H31N3O — CID 58514037

IUPAC4-[3-(1-cyclohexylpyrazol-3-yl)propyl]-2,6-dimethylmorpholine
SMILESCC1CN(CCCc2ccn(C3CCCCC3)n2)CC(C)O1
InChIInChI=1S/C18H31N3O/c1-15-13-20(14-16(2)22-15)11-6-7-17-10-12-21(19-17)18-8-4-3-5-9-18/h10,12,15-16,18H,3-9,11,13-14H2,1-2H3
InChIKeyMJUDVQIMGGLYED-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.43
Rot. Bonds5

About 4-[3-(1-cyclohexylpyrazol-3-yl)propyl]-2,6-dimethylmorpholine

4-[3-(1-cyclohexylpyrazol-3-yl)propyl]-2,6-dimethylmorpholine (PubChem CID 58514037) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 4-[3-(1-cyclohexylpyrazol-3-yl)propyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[3-(1-cyclohexylpyrazol-3-yl)propyl]-2,6-dimethylmorpholine
PubChem CID58514037
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name4-[3-(1-cyclohexylpyrazol-3-yl)propyl]-2,6-dimethylmorpholine
SMILESCC1CN(CCCc2ccn(C3CCCCC3)n2)CC(C)O1
InChIInChI=1S/C18H31N3O/c1-15-13-20(14-16(2)22-15)11-6-7-17-10-12-21(19-17)18-8-4-3-5-9-18/h10,12,15-16,18H,3-9,11,13-14H2,1-2H3
InChIKeyMJUDVQIMGGLYED-UHFFFAOYSA-N
XLogP3.43
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-cyclohexylpyrazol-3-yl)propyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[3-(1-cyclohexylpyrazol-3-yl)propyl]-2,6-dimethylmorpholine (CID 58514037) is 4-[3-(1-cyclohexylpyrazol-3-yl)propyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[3-(1-cyclohexylpyrazol-3-yl)propyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[3-(1-cyclohexylpyrazol-3-yl)propyl]-2,6-dimethylmorpholine is CC1CN(CCCc2ccn(C3CCCCC3)n2)CC(C)O1.
What is the InChIKey of 4-[3-(1-cyclohexylpyrazol-3-yl)propyl]-2,6-dimethylmorpholine?
The InChIKey is MJUDVQIMGGLYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-15-13-20(14-16(2)22-15)11-6-7-17-10-12-21(19-17)18-8-4-3-5-9-18/h10,12,15-16,18H,3-9,11,13-14H2,1-2H3.
What are the key properties of 4-[3-(1-cyclohexylpyrazol-3-yl)propyl]-2,6-dimethylmorpholine?
4-[3-(1-cyclohexylpyrazol-3-yl)propyl]-2,6-dimethylmorpholine has a molecular weight of 305.47 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-cyclohexylpyrazol-3-yl)propyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 58514037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).