5-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylfuran-2-carboxylic acid

C13H15N3O4S — CID 63943347

IUPAC5-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylfuran-2-carboxylic acid
SMILESCC(C)n1nccc1NC(=O)CSc1ccc(C(=O)O)o1
InChIInChI=1S/C13H15N3O4S/c1-8(2)16-10(5-6-14-16)15-11(17)7-21-12-4-3-9(20-12)13(18)19/h3-6,8H,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyCAJHTQDJOUXGPO-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.49
Rot. Bonds6

About 5-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylfuran-2-carboxylic acid

5-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylfuran-2-carboxylic acid (PubChem CID 63943347) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 5-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylfuran-2-carboxylic acid
PubChem CID63943347
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name5-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylfuran-2-carboxylic acid
SMILESCC(C)n1nccc1NC(=O)CSc1ccc(C(=O)O)o1
InChIInChI=1S/C13H15N3O4S/c1-8(2)16-10(5-6-14-16)15-11(17)7-21-12-4-3-9(20-12)13(18)19/h3-6,8H,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyCAJHTQDJOUXGPO-UHFFFAOYSA-N
XLogP2.49
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylfuran-2-carboxylic acid 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-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63941977
5-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63941429
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 43302810
2-methyl-2-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylpropanoic acid
CID 81223688
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39067806
5-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 43149865
2-(2-amino-3-methylphenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 79129205
5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63941798
5-[2-(3,5-difluoroanilino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63941208
2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47097280
5-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63942163
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 43304457

Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylfuran-2-carboxylic acid?
The IUPAC name of 5-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylfuran-2-carboxylic acid (CID 63943347) is 5-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylfuran-2-carboxylic acid?
The canonical SMILES for 5-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylfuran-2-carboxylic acid is CC(C)n1nccc1NC(=O)CSc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylfuran-2-carboxylic acid?
The InChIKey is CAJHTQDJOUXGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-8(2)16-10(5-6-14-16)15-11(17)7-21-12-4-3-9(20-12)13(18)19/h3-6,8H,7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 5-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylfuran-2-carboxylic acid?
5-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylfuran-2-carboxylic acid has a molecular weight of 309.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylfuran-2-carboxylic acid is sourced from PubChem (CID 63943347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).