[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]azanium

C24H32N4O+2 — CID 9453965

IUPAC[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]azanium
SMILESCc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1C[NH+](Cc2ccccc2)CCO1
InChIInChI=1S/C24H30N4O/c1-19-24(20(2)28(26-19)22-11-7-4-8-12-22)16-25-15-23-18-27(13-14-29-23)17-21-9-5-3-6-10-21/h3-12,23,25H,13-18H2,1-2H3/p+2/t23-/m1/s1
InChIKeyXXNLSVGTTLPGOI-HSZRJFAPSA-P
MW392.55 g/mol
LogP1.04
Rot. Bonds7

About [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]azanium

[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]azanium (PubChem CID 9453965) has the molecular formula C24H32N4O+2 and a molecular weight of 392.55 g/mol. Its IUPAC name is [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]azanium
PubChem CID9453965
Molecular FormulaC24H32N4O+2
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]azanium
SMILESCc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1C[NH+](Cc2ccccc2)CCO1
InChIInChI=1S/C24H30N4O/c1-19-24(20(2)28(26-19)22-11-7-4-8-12-22)16-25-15-23-18-27(13-14-29-23)17-21-9-5-3-6-10-21/h3-12,23,25H,13-18H2,1-2H3/p+2/t23-/m1/s1
InChIKeyXXNLSVGTTLPGOI-HSZRJFAPSA-P
XLogP1.04
TPSA48.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
CID 9268041
(4aS,7aS)-6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 129378900
(E)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 9488536
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
[(1S)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylazaniumyl]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 9453443
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 8590207
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(ethoxymethyl)morpholine
CID 136555263
2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine
CID 115592625
(3S)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]oxolan-2-one
CID 95899466
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-(oxolan-2-ylmethyl)acetamide
CID 18160313
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 56818581
1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 94486758

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]azanium?
The IUPAC name of [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]azanium (CID 9453965) is [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]azanium.
What is the SMILES notation for [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]azanium?
The canonical SMILES for [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]azanium is Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1C[NH+](Cc2ccccc2)CCO1.
What is the InChIKey of [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]azanium?
The InChIKey is XXNLSVGTTLPGOI-HSZRJFAPSA-P. The full InChI is InChI=1S/C24H30N4O/c1-19-24(20(2)28(26-19)22-11-7-4-8-12-22)16-25-15-23-18-27(13-14-29-23)17-21-9-5-3-6-10-21/h3-12,23,25H,13-18H2,1-2H3/p+2/t23-/m1/s1.
What are the key properties of [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]azanium?
[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]azanium has a molecular weight of 392.55 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]azanium is sourced from PubChem (CID 9453965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).