1-[2-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid

C17H18N4O4 — CID 146136932

IUPAC1-[2-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid
SMILESCN(C(=O)Cn1cc(C(=O)O)cn1)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H18N4O4/c1-19(15(22)11-20-10-12(9-18-20)17(24)25)14-7-8-21(16(14)23)13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11H2,1H3,(H,24,25)
InChIKeyKGCUSGFWHFBAAV-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.85
Rot. Bonds5

About 1-[2-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid

1-[2-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid (PubChem CID 146136932) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-[2-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid
PubChem CID146136932
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name1-[2-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid
SMILESCN(C(=O)Cn1cc(C(=O)O)cn1)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H18N4O4/c1-19(15(22)11-20-10-12(9-18-20)17(24)25)14-7-8-21(16(14)23)13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11H2,1H3,(H,24,25)
InChIKeyKGCUSGFWHFBAAV-UHFFFAOYSA-N
XLogP0.85
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[2-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid (CID 146136932) is 1-[2-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid is CN(C(=O)Cn1cc(C(=O)O)cn1)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of 1-[2-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid?
The InChIKey is KGCUSGFWHFBAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-19(15(22)11-20-10-12(9-18-20)17(24)25)14-7-8-21(16(14)23)13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11H2,1H3,(H,24,25).
What are the key properties of 1-[2-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid?
1-[2-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid has a molecular weight of 342.36 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 146136932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).