4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]morpholine

C19H25N3O — CID 11531451

IUPAC4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]morpholine
SMILESc1ccc(-n2ncc3c2CCCC3CCN2CCOCC2)cc1
InChIInChI=1S/C19H25N3O/c1-2-6-17(7-3-1)22-19-8-4-5-16(18(19)15-20-22)9-10-21-11-13-23-14-12-21/h1-3,6-7,15-16H,4-5,8-14H2
InChIKeyNTRXRHOREDBYQW-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.01
Rot. Bonds4

About 4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]morpholine

4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]morpholine (PubChem CID 11531451) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]morpholine
PubChem CID11531451
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]morpholine
SMILESc1ccc(-n2ncc3c2CCCC3CCN2CCOCC2)cc1
InChIInChI=1S/C19H25N3O/c1-2-6-17(7-3-1)22-19-8-4-5-16(18(19)15-20-22)9-10-21-11-13-23-14-12-21/h1-3,6-7,15-16H,4-5,8-14H2
InChIKeyNTRXRHOREDBYQW-UHFFFAOYSA-N
XLogP3.01
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Phenyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidine
CID 44419065
2-[3-(4-Methylphenyl)-1-phenylpyrazol-4-yl]-1-morpholin-4-ylethanethione
CID 2121563
1-Methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole
CID 11573361
N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-methoxy-N-methylethanamine
CID 16187753
N,N-dimethyl-1-{4-[2-methyl-4-(1H-pyrazol-1-yl)benzyl]-1,4-oxazepan-6-yl}methanamine
CID 56891183
4-[[1-Cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
CID 155545737
N-[(E)-(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-N-(4-morpholinyl)amine
CID 9553542
1-[1-(2,4-difluorophenyl)-3-(o-tolyl)pyrazol-4-yl]-N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]methanamine
CID 72545820
4-[[1-(4-Fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]morpholine
CID 155516252
Morpholine, 4-((4,5,6,7-tetrahydro-1-phenyl-1H-indazol-3-yl)thioacetyl)-
CID 210666
4-{[1-(2,5-dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}morpholine
CID 28697636
4-{[3-(3-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}morpholine
CID 29085984

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]morpholine (CID 11531451) is 4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]morpholine is c1ccc(-n2ncc3c2CCCC3CCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]morpholine?
The InChIKey is NTRXRHOREDBYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-6-17(7-3-1)22-19-8-4-5-16(18(19)15-20-22)9-10-21-11-13-23-14-12-21/h1-3,6-7,15-16H,4-5,8-14H2.
What are the key properties of 4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]morpholine?
4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]morpholine has a molecular weight of 311.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]morpholine is sourced from PubChem (CID 11531451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).