N-ethyl-2-(2-methylphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]morpholine-4-carboximidamide;hydroiodide

C21H32IN5O — CID 109480992

IUPACN-ethyl-2-(2-methylphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]morpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCc1cn[nH]c1C)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C21H31N5O.HI/c1-4-22-21(23-11-7-9-18-14-24-25-17(18)3)26-12-13-27-20(15-26)19-10-6-5-8-16(19)2;/h5-6,8,10,14,20H,4,7,9,11-13,15H2,1-3H3,(H,22,23)(H,24,25);1H
InChIKeyJJEOCMOKAAQADK-UHFFFAOYSA-N
MW497.43 g/mol
LogP3.62
Rot. Bonds6

About N-ethyl-2-(2-methylphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]morpholine-4-carboximidamide;hydroiodide

N-ethyl-2-(2-methylphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 109480992) has the molecular formula C21H32IN5O and a molecular weight of 497.43 g/mol. Its IUPAC name is N-ethyl-2-(2-methylphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-2-(2-methylphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID109480992
Molecular FormulaC21H32IN5O
Molecular Weight497.43 g/mol
Exact Mass497.17
IUPAC NameN-ethyl-2-(2-methylphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]morpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCc1cn[nH]c1C)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C21H31N5O.HI/c1-4-22-21(23-11-7-9-18-14-24-25-17(18)3)26-12-13-27-20(15-26)19-10-6-5-8-16(19)2;/h5-6,8,10,14,20H,4,7,9,11-13,15H2,1-3H3,(H,22,23)(H,24,25);1H
InChIKeyJJEOCMOKAAQADK-UHFFFAOYSA-N
XLogP3.62
TPSA65.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(2-methylphenyl)-N'-[2-(6-methyl-3-pyridinyl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109480481
N-ethyl-N'-[3-(ethylsulfonylamino)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481495
N-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide
CID 111724171
N-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479835
N'-(2-ethoxyethyl)-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479664
N-[2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109480489
N-ethyl-2-(2-methylphenyl)-N'-(2-pyridin-2-ylethyl)morpholine-4-carboximidamide
CID 109479902
N-ethyl-2-(2-methylphenyl)-N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109480990
N-ethyl-2-(2-methylphenyl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109481388
N-ethyl-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481754
N-ethyl-N'-[2-(3-hydroxyphenyl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479510
N-ethyl-2-(2-methylphenyl)-N'-[4-(pyridin-2-ylamino)butyl]morpholine-4-carboximidamide
CID 109481543

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-2-(2-methylphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]morpholine-4-carboximidamide;hydroiodide (CID 109480992) is N-ethyl-2-(2-methylphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-2-(2-methylphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-2-(2-methylphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]morpholine-4-carboximidamide;hydroiodide is CCN/C(=N\CCCc1cn[nH]c1C)N1CCOC(c2ccccc2C)C1.I.
What is the InChIKey of N-ethyl-2-(2-methylphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is JJEOCMOKAAQADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O.HI/c1-4-22-21(23-11-7-9-18-14-24-25-17(18)3)26-12-13-27-20(15-26)19-10-6-5-8-16(19)2;/h5-6,8,10,14,20H,4,7,9,11-13,15H2,1-3H3,(H,22,23)(H,24,25);1H.
What are the key properties of N-ethyl-2-(2-methylphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]morpholine-4-carboximidamide;hydroiodide?
N-ethyl-2-(2-methylphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 497.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109480992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).