2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide

C12H21N5O — CID 120661644

IUPAC2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide
SMILESCc1cnn(CC/N=C(\N)N2CCOC(C)C2)c1
InChIInChI=1S/C12H21N5O/c1-10-7-15-17(8-10)4-3-14-12(13)16-5-6-18-11(2)9-16/h7-8,11H,3-6,9H2,1-2H3,(H2,13,14)
InChIKeyXENCXOTWGGWCLA-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.23
Rot. Bonds3

About 2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide

2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide (PubChem CID 120661644) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide
PubChem CID120661644
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide
SMILESCc1cnn(CC/N=C(\N)N2CCOC(C)C2)c1
InChIInChI=1S/C12H21N5O/c1-10-7-15-17(8-10)4-3-14-12(13)16-5-6-18-11(2)9-16/h7-8,11H,3-6,9H2,1-2H3,(H2,13,14)
InChIKeyXENCXOTWGGWCLA-UHFFFAOYSA-N
XLogP0.23
TPSA68.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide
CID 111806202
2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661211
2-methyl-N'-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661263
2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide
CID 166222802
N-[2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]ethyl]pyrazine-2-carboxamide
CID 120661490
N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661618
N'-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661640
N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661861
N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661691
2-methyl-N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120662093
N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120913754
N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide
CID 122096622

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide?
The IUPAC name of 2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide (CID 120661644) is 2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide.
What is the SMILES notation for 2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide?
The canonical SMILES for 2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide is Cc1cnn(CC/N=C(\N)N2CCOC(C)C2)c1.
What is the InChIKey of 2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide?
The InChIKey is XENCXOTWGGWCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-10-7-15-17(8-10)4-3-14-12(13)16-5-6-18-11(2)9-16/h7-8,11H,3-6,9H2,1-2H3,(H2,13,14).
What are the key properties of 2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide?
2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide has a molecular weight of 251.33 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 120661644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).