methyl 4-[2-[2-(4-methoxybutyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate;uranium;vanadium

C18H25N2O4UV- — CID 59769737

IUPACmethyl 4-[2-[2-(4-methoxybutyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate;uranium;vanadium
SMILESCO[CH-]CCCN1CCC(=O)N1CCc1ccc(C(=O)OC)cc1.[U].[V]
InChIInChI=1S/C18H25N2O4.U.V/c1-23-14-4-3-11-19-12-10-17(21)20(19)13-9-15-5-7-16(8-6-15)18(22)24-2;;/h5-8,14H,3-4,9-13H2,1-2H3;;/q-1;;
InChIKeyFSGZWRJOKMMCBJ-UHFFFAOYSA-N
MW622.38 g/mol
LogP2.05
Rot. Bonds9

About methyl 4-[2-[2-(4-methoxybutyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate;uranium;vanadium

methyl 4-[2-[2-(4-methoxybutyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate;uranium;vanadium (PubChem CID 59769737) has the molecular formula C18H25N2O4UV- and a molecular weight of 622.38 g/mol. Its IUPAC name is methyl 4-[2-[2-(4-methoxybutyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate;uranium;vanadium.

Molecular Properties

Compound Namemethyl 4-[2-[2-(4-methoxybutyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate;uranium;vanadium
PubChem CID59769737
Molecular FormulaC18H25N2O4UV-
Molecular Weight622.38 g/mol
Exact Mass622.18
IUPAC Namemethyl 4-[2-[2-(4-methoxybutyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate;uranium;vanadium
SMILESCO[CH-]CCCN1CCC(=O)N1CCc1ccc(C(=O)OC)cc1.[U].[V]
InChIInChI=1S/C18H25N2O4.U.V/c1-23-14-4-3-11-19-12-10-17(21)20(19)13-9-15-5-7-16(8-6-15)18(22)24-2;;/h5-8,14H,3-4,9-13H2,1-2H3;;/q-1;;
InChIKeyFSGZWRJOKMMCBJ-UHFFFAOYSA-N
XLogP2.05
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.38
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[2-[2-(3-hydroxypropyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate
CID 59769716
methyl 4-[2-[2-(4-methyl-3-oxoheptyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate
CID 66890428
methyl 4-[2-[2-[4-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctyl]-5-oxopyrazolidin-1-yl]ethyl]benzoate
CID 66888886
1-bromo-4-methoxybut-2-yne;4-[2-[2-(4-hydroxybutyl)-5-oxopyrazolidin-1-yl]ethyl]benzoic acid;4-methoxybut-2-yn-1-ol;3-methoxyprop-1-yne;methyl 4-[2-[2-(4-hydroxybutyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate;methyl 4-[2-[2-(4-methoxybutyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate;methyl 4-[2-[2-(4-methoxybut-2-ynyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate;methyl 4-[2-(5-oxopyrazolidin-1-yl)ethyl]benzoate;prop-2-yn-1-ol;uranium;octakis(vanadium)
CID 158875801
4-[2-[2-[(3S)-3-hydroxyoctyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid
CID 59769699
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
methyl 4-(3-pyrrolidin-1-ylpropyl)benzoate
CID 10658147
methyl 4-[2-[2-[4-(1-benzothiophen-5-yl)-3-hydroxybutyl]-6-oxodiazinan-1-yl]ethyl]benzoate
CID 11539976
3-(4-methoxycarbonylphenyl)propylazanium
CID 154715672
methyl 4-[2-[(2R)-2-(2,2-dibromoethenyl)-5-oxopyrrolidin-1-yl]ethyl]benzoate
CID 87714246
4-[2-[2-[4-(3-methylphenyl)-3-oxobutyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid
CID 69108955
methyl 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzoate
CID 5009939

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[2-(4-methoxybutyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate;uranium;vanadium?
The IUPAC name of methyl 4-[2-[2-(4-methoxybutyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate;uranium;vanadium (CID 59769737) is methyl 4-[2-[2-(4-methoxybutyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate;uranium;vanadium.
What is the SMILES notation for methyl 4-[2-[2-(4-methoxybutyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate;uranium;vanadium?
The canonical SMILES for methyl 4-[2-[2-(4-methoxybutyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate;uranium;vanadium is CO[CH-]CCCN1CCC(=O)N1CCc1ccc(C(=O)OC)cc1.[U].[V].
What is the InChIKey of methyl 4-[2-[2-(4-methoxybutyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate;uranium;vanadium?
The InChIKey is FSGZWRJOKMMCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N2O4.U.V/c1-23-14-4-3-11-19-12-10-17(21)20(19)13-9-15-5-7-16(8-6-15)18(22)24-2;;/h5-8,14H,3-4,9-13H2,1-2H3;;/q-1;;.
What are the key properties of methyl 4-[2-[2-(4-methoxybutyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate;uranium;vanadium?
methyl 4-[2-[2-(4-methoxybutyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate;uranium;vanadium has a molecular weight of 622.38 g/mol, XLogP of 2.05, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[2-(4-methoxybutyl)-5-oxopyrazolidin-1-yl]ethyl]benzoate;uranium;vanadium is sourced from PubChem (CID 59769737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).