methyl 1,5-dimethyl-4-[(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]pyrazole-3-carboxylate

C17H20N4O4S — CID 110280725

IUPACmethyl 1,5-dimethyl-4-[(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1NC(=O)C1CC(=O)N(C)C1c1cccs1
InChIInChI=1S/C17H20N4O4S/c1-9-13(14(17(24)25-4)19-21(9)3)18-16(23)10-8-12(22)20(2)15(10)11-6-5-7-26-11/h5-7,10,15H,8H2,1-4H3,(H,18,23)
InChIKeyFQXNDZPXMYZTNO-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.73
Rot. Bonds4

About methyl 1,5-dimethyl-4-[(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]pyrazole-3-carboxylate

methyl 1,5-dimethyl-4-[(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]pyrazole-3-carboxylate (PubChem CID 110280725) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is methyl 1,5-dimethyl-4-[(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,5-dimethyl-4-[(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]pyrazole-3-carboxylate
PubChem CID110280725
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Namemethyl 1,5-dimethyl-4-[(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1NC(=O)C1CC(=O)N(C)C1c1cccs1
InChIInChI=1S/C17H20N4O4S/c1-9-13(14(17(24)25-4)19-21(9)3)18-16(23)10-8-12(22)20(2)15(10)11-6-5-7-26-11/h5-7,10,15H,8H2,1-4H3,(H,18,23)
InChIKeyFQXNDZPXMYZTNO-UHFFFAOYSA-N
XLogP1.73
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 1,5-dimethyl-4-[(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]pyrazole-3-carboxylate with MolForge

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Related Compounds

1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 75538089
(2R,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 97456988
N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 75538079
(2S,3R)-1-methyl-N-[(2-methylphenyl)methyl]-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 97457005
(4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
CID 97457021
4-[[[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 125151166
1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
CID 75538102
methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 75358466
(2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 9117303
2-[methyl-(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 119172352
2-[methyl-[(2S,3R)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]amino]acetic acid
CID 125154369
N-(4-methoxy-3-pyridinyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 86874286

Frequently Asked Questions

What is the IUPAC name of methyl 1,5-dimethyl-4-[(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]pyrazole-3-carboxylate?
The IUPAC name of methyl 1,5-dimethyl-4-[(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]pyrazole-3-carboxylate (CID 110280725) is methyl 1,5-dimethyl-4-[(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1,5-dimethyl-4-[(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1,5-dimethyl-4-[(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]pyrazole-3-carboxylate is COC(=O)c1nn(C)c(C)c1NC(=O)C1CC(=O)N(C)C1c1cccs1.
What is the InChIKey of methyl 1,5-dimethyl-4-[(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]pyrazole-3-carboxylate?
The InChIKey is FQXNDZPXMYZTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-9-13(14(17(24)25-4)19-21(9)3)18-16(23)10-8-12(22)20(2)15(10)11-6-5-7-26-11/h5-7,10,15H,8H2,1-4H3,(H,18,23).
What are the key properties of methyl 1,5-dimethyl-4-[(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]pyrazole-3-carboxylate?
methyl 1,5-dimethyl-4-[(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]pyrazole-3-carboxylate has a molecular weight of 376.44 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,5-dimethyl-4-[(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]pyrazole-3-carboxylate is sourced from PubChem (CID 110280725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).