4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine

C16H27N3O2 — CID 54673633

IUPAC4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine
SMILESc1cn(C2CCCCC2)nc1COCCN1CCOCC1
InChIInChI=1S/C16H27N3O2/c1-2-4-16(5-3-1)19-7-6-15(17-19)14-21-13-10-18-8-11-20-12-9-18/h6-7,16H,1-5,8-14H2
InChIKeyJBDLDEARUHTWLB-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.24
Rot. Bonds6

About 4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine

4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine (PubChem CID 54673633) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine
PubChem CID54673633
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine
SMILESc1cn(C2CCCCC2)nc1COCCN1CCOCC1
InChIInChI=1S/C16H27N3O2/c1-2-4-16(5-3-1)19-7-6-15(17-19)14-21-13-10-18-8-11-20-12-9-18/h6-7,16H,1-5,8-14H2
InChIKeyJBDLDEARUHTWLB-UHFFFAOYSA-N
XLogP2.24
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 78318871
CID 78318871
CID 64784823
CID 64784823
CID 13913100
CID 13913100
CID 122170871
CID 122170871
CID 174515267
CID 174515267
CID 122170449
CID 122170449
CID 122170455
CID 122170455
CID 122170460
CID 122170460
CID 122170462
CID 122170462
CID 122170467
CID 122170467
CID 122170472
CID 122170472
CID 122170474
CID 122170474

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine (CID 54673633) is 4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine is c1cn(C2CCCCC2)nc1COCCN1CCOCC1.
What is the InChIKey of 4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine?
The InChIKey is JBDLDEARUHTWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-2-4-16(5-3-1)19-7-6-15(17-19)14-21-13-10-18-8-11-20-12-9-18/h6-7,16H,1-5,8-14H2.
What are the key properties of 4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine?
4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine has a molecular weight of 293.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-cyclohexylpyrazol-3-yl)methoxy]ethyl]morpholine is sourced from PubChem (CID 54673633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).