methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-[(4-morpholin-4-ylphenyl)methyl]azanium

C24H30N5O2+ — CID 9295216

IUPACmethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-[(4-morpholin-4-ylphenyl)methyl]azanium
SMILESCc1cc(NC(=O)C[NH+](C)Cc2ccc(N3CCOCC3)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C24H29N5O2/c1-19-16-23(29(26-19)22-6-4-3-5-7-22)25-24(30)18-27(2)17-20-8-10-21(11-9-20)28-12-14-31-15-13-28/h3-11,16H,12-15,17-18H2,1-2H3,(H,25,30)/p+1
InChIKeyVXQSVIOFOKVKNT-UHFFFAOYSA-O
MW420.54 g/mol
LogP1.67
Rot. Bonds7

About methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-[(4-morpholin-4-ylphenyl)methyl]azanium

methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-[(4-morpholin-4-ylphenyl)methyl]azanium (PubChem CID 9295216) has the molecular formula C24H30N5O2+ and a molecular weight of 420.54 g/mol. Its IUPAC name is methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-[(4-morpholin-4-ylphenyl)methyl]azanium.

Molecular Properties

Compound Namemethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-[(4-morpholin-4-ylphenyl)methyl]azanium
PubChem CID9295216
Molecular FormulaC24H30N5O2+
Molecular Weight420.54 g/mol
Exact Mass420.24
IUPAC Namemethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-[(4-morpholin-4-ylphenyl)methyl]azanium
SMILESCc1cc(NC(=O)C[NH+](C)Cc2ccc(N3CCOCC3)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C24H29N5O2/c1-19-16-23(29(26-19)22-6-4-3-5-7-22)25-24(30)18-27(2)17-20-8-10-21(11-9-20)28-12-14-31-15-13-28/h3-11,16H,12-15,17-18H2,1-2H3,(H,25,30)/p+1
InChIKeyVXQSVIOFOKVKNT-UHFFFAOYSA-O
XLogP1.67
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium
CID 6932117
(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592839
methyl-[(4-methylsulfanylphenyl)methyl]-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592985
2-[(2R)-2-methylmorpholin-4-yl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 31520086
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]azanium
CID 8553092
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]azanium
CID 8846536
methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium
CID 8592773
methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium
CID 9267796
N-(5-methyl-2-phenylpyrazol-3-yl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide
CID 9437334
2-[methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetamide
CID 56814566
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 7845278
2-[[cyclopropyl(phenyl)methyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 112806614

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-[(4-morpholin-4-ylphenyl)methyl]azanium?
The IUPAC name of methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-[(4-morpholin-4-ylphenyl)methyl]azanium (CID 9295216) is methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-[(4-morpholin-4-ylphenyl)methyl]azanium.
What is the SMILES notation for methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-[(4-morpholin-4-ylphenyl)methyl]azanium?
The canonical SMILES for methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-[(4-morpholin-4-ylphenyl)methyl]azanium is Cc1cc(NC(=O)C[NH+](C)Cc2ccc(N3CCOCC3)cc2)n(-c2ccccc2)n1.
What is the InChIKey of methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-[(4-morpholin-4-ylphenyl)methyl]azanium?
The InChIKey is VXQSVIOFOKVKNT-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H29N5O2/c1-19-16-23(29(26-19)22-6-4-3-5-7-22)25-24(30)18-27(2)17-20-8-10-21(11-9-20)28-12-14-31-15-13-28/h3-11,16H,12-15,17-18H2,1-2H3,(H,25,30)/p+1.
What are the key properties of methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-[(4-morpholin-4-ylphenyl)methyl]azanium?
methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-[(4-morpholin-4-ylphenyl)methyl]azanium has a molecular weight of 420.54 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-[(4-morpholin-4-ylphenyl)methyl]azanium is sourced from PubChem (CID 9295216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).