2-methyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-4-carboximidamide

C12H18F3N5O — CID 120661926

IUPAC2-methyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/Cc2cn(C)nc2C(F)(F)F)CCO1
InChIInChI=1S/C12H18F3N5O/c1-8-6-20(3-4-21-8)11(16)17-5-9-7-19(2)18-10(9)12(13,14)15/h7-8H,3-6H2,1-2H3,(H2,16,17)
InChIKeyDNQBQFHSKKHBPJ-UHFFFAOYSA-N
MW305.30 g/mol
LogP0.97
Rot. Bonds2

About 2-methyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-4-carboximidamide

2-methyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-4-carboximidamide (PubChem CID 120661926) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-methyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-4-carboximidamide
PubChem CID120661926
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name2-methyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/Cc2cn(C)nc2C(F)(F)F)CCO1
InChIInChI=1S/C12H18F3N5O/c1-8-6-20(3-4-21-8)11(16)17-5-9-7-19(2)18-10(9)12(13,14)15/h7-8H,3-6H2,1-2H3,(H2,16,17)
InChIKeyDNQBQFHSKKHBPJ-UHFFFAOYSA-N
XLogP0.97
TPSA68.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 50.97
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

2-methyl-N'-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661129
2-methyl-N'-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661263
N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120662286
1-cyclopropyl-1-methyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine
CID 110031743
N'-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661827
2-methyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661149
2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide
CID 120661644
2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide
CID 120661374
2-methyl-N'-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661279
2-methyl-N'-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)morpholine-4-carboximidamide
CID 120662048
N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120663185
N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661618

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-4-carboximidamide?
The IUPAC name of 2-methyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-4-carboximidamide (CID 120661926) is 2-methyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-4-carboximidamide.
What is the SMILES notation for 2-methyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-4-carboximidamide?
The canonical SMILES for 2-methyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-4-carboximidamide is CC1CN(/C(N)=N/Cc2cn(C)nc2C(F)(F)F)CCO1.
What is the InChIKey of 2-methyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-4-carboximidamide?
The InChIKey is DNQBQFHSKKHBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-8-6-20(3-4-21-8)11(16)17-5-9-7-19(2)18-10(9)12(13,14)15/h7-8H,3-6H2,1-2H3,(H2,16,17).
What are the key properties of 2-methyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-4-carboximidamide?
2-methyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-4-carboximidamide has a molecular weight of 305.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 120661926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).