3-[[2-(2-methylpropanoylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid

C17H16N4O4S — CID 68819738

IUPAC3-[[2-(2-methylpropanoylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
SMILESCC(C)C(=O)Nc1ccccc1C(=O)Nc1[nH]nc2sc(C(=O)O)cc12
InChIInChI=1S/C17H16N4O4S/c1-8(2)14(22)18-11-6-4-3-5-9(11)15(23)19-13-10-7-12(17(24)25)26-16(10)21-20-13/h3-8H,1-2H3,(H,18,22)(H,24,25)(H2,19,20,21,23)
InChIKeyMXVWWSDTTNCRSA-UHFFFAOYSA-N
MW372.41 g/mol
LogP3.17
Rot. Bonds5

About 3-[[2-(2-methylpropanoylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid

3-[[2-(2-methylpropanoylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid (PubChem CID 68819738) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is 3-[[2-(2-methylpropanoylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2-methylpropanoylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
PubChem CID68819738
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name3-[[2-(2-methylpropanoylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
SMILESCC(C)C(=O)Nc1ccccc1C(=O)Nc1[nH]nc2sc(C(=O)O)cc12
InChIInChI=1S/C17H16N4O4S/c1-8(2)14(22)18-11-6-4-3-5-9(11)15(23)19-13-10-7-12(17(24)25)26-16(10)21-20-13/h3-8H,1-2H3,(H,18,22)(H,24,25)(H2,19,20,21,23)
InChIKeyMXVWWSDTTNCRSA-UHFFFAOYSA-N
XLogP3.17
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(2-methylpropanoylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid with MolForge

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Related Compounds

3-[[2-(1H-pyrrole-3-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 68859990
3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 68819378
3-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 68823372
3-[[2-[(1-methylimidazole-2-carbonyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 68821556
3-benzamido-N-propan-2-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398673
3-[(2-methoxybenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67397380
N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-2-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67158470
N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-3-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67158417
3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67159226
2-fluoro-N-[5-(morpholine-4-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide
CID 67400020
2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
N-(2-methoxyphenyl)-3-[[2-(2-methylphenyl)acetyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67397393

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methylpropanoylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid?
The IUPAC name of 3-[[2-(2-methylpropanoylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid (CID 68819738) is 3-[[2-(2-methylpropanoylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[[2-(2-methylpropanoylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[[2-(2-methylpropanoylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid is CC(C)C(=O)Nc1ccccc1C(=O)Nc1[nH]nc2sc(C(=O)O)cc12.
What is the InChIKey of 3-[[2-(2-methylpropanoylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid?
The InChIKey is MXVWWSDTTNCRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-8(2)14(22)18-11-6-4-3-5-9(11)15(23)19-13-10-7-12(17(24)25)26-16(10)21-20-13/h3-8H,1-2H3,(H,18,22)(H,24,25)(H2,19,20,21,23).
What are the key properties of 3-[[2-(2-methylpropanoylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid?
3-[[2-(2-methylpropanoylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid has a molecular weight of 372.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methylpropanoylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 68819738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).