N-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide

C24H29N5O — CID 109479945

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESC/N=C(\NCc1cnn(Cc2ccccc2)c1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C24H29N5O/c1-19-8-6-7-11-22(19)23-18-28(12-13-30-23)24(25-2)26-14-21-15-27-29(17-21)16-20-9-4-3-5-10-20/h3-11,15,17,23H,12-14,16,18H2,1-2H3,(H,25,26)
InChIKeyPHYAFSIVGPKQHS-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.39
Rot. Bonds5

About N-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide

N-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide (PubChem CID 109479945) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
PubChem CID109479945
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESC/N=C(\NCc1cnn(Cc2ccccc2)c1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C24H29N5O/c1-19-8-6-7-11-22(19)23-18-28(12-13-30-23)24(25-2)26-14-21-15-27-29(17-21)16-20-9-4-3-5-10-20/h3-11,15,17,23H,12-14,16,18H2,1-2H3,(H,25,26)
InChIKeyPHYAFSIVGPKQHS-UHFFFAOYSA-N
XLogP3.39
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.39
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

N-[(6-chloro-3-pyridinyl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480032
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480348
N-[[3-(methoxymethyl)phenyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480848
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480916
N-ethyl-3-[[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]methyl]benzamide
CID 109479489
N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481307
N-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727056
N'-methyl-2-(2-methylphenyl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide
CID 109481092
N'-methyl-2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide
CID 109481243
N'-methyl-2-(2-methylphenyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide
CID 109480737
N'-methyl-2-(2-methylphenyl)-N-prop-2-ynylmorpholine-4-carboximidamide;hydroiodide
CID 109479908
N'-methyl-2-(2-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide
CID 109480955

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide (CID 109479945) is N-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide is C/N=C(\NCc1cnn(Cc2ccccc2)c1)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The InChIKey is PHYAFSIVGPKQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-19-8-6-7-11-22(19)23-18-28(12-13-30-23)24(25-2)26-14-21-15-27-29(17-21)16-20-9-4-3-5-10-20/h3-11,15,17,23H,12-14,16,18H2,1-2H3,(H,25,26).
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
N-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide has a molecular weight of 403.53 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide is sourced from PubChem (CID 109479945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).