3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid

C19H15N5O4S — CID 68819378

IUPAC3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
SMILESCn1cccc1C(=O)Nc1ccccc1C(=O)Nc1[nH]nc2sc(C(=O)O)cc12
InChIInChI=1S/C19H15N5O4S/c1-24-8-4-7-13(24)17(26)20-12-6-3-2-5-10(12)16(25)21-15-11-9-14(19(27)28)29-18(11)23-22-15/h2-9H,1H3,(H,20,26)(H,27,28)(H2,21,22,23,25)
InChIKeyCEVXJXMSCJSLQO-UHFFFAOYSA-N
MW409.43 g/mol
LogP3.17
Rot. Bonds5

About 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid

3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid (PubChem CID 68819378) has the molecular formula C19H15N5O4S and a molecular weight of 409.43 g/mol. Its IUPAC name is 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
PubChem CID68819378
Molecular FormulaC19H15N5O4S
Molecular Weight409.43 g/mol
Exact Mass409.08
IUPAC Name3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
SMILESCn1cccc1C(=O)Nc1ccccc1C(=O)Nc1[nH]nc2sc(C(=O)O)cc12
InChIInChI=1S/C19H15N5O4S/c1-24-8-4-7-13(24)17(26)20-12-6-3-2-5-10(12)16(25)21-15-11-9-14(19(27)28)29-18(11)23-22-15/h2-9H,1H3,(H,20,26)(H,27,28)(H2,21,22,23,25)
InChIKeyCEVXJXMSCJSLQO-UHFFFAOYSA-N
XLogP3.17
TPSA129.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid with MolForge

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Related Compounds

3-[[2-[(1-methylimidazole-2-carbonyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 68821556
3-[[2-(1H-pyrrole-3-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 68859990
3-[[2-(2-methylpropanoylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 68819738
3-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 68823372
3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67159226
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-methoxybenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67397380
N-tert-butyl-3-[(2-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401377
2-fluoro-N-[5-(morpholine-4-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide
CID 67400020
4-fluoro-2-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 28741909
4-[2-(1H-indazol-3-yl)ethenyl]-3-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 69001401

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid?
The IUPAC name of 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid (CID 68819378) is 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid is Cn1cccc1C(=O)Nc1ccccc1C(=O)Nc1[nH]nc2sc(C(=O)O)cc12.
What is the InChIKey of 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid?
The InChIKey is CEVXJXMSCJSLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4S/c1-24-8-4-7-13(24)17(26)20-12-6-3-2-5-10(12)16(25)21-15-11-9-14(19(27)28)29-18(11)23-22-15/h2-9H,1H3,(H,20,26)(H,27,28)(H2,21,22,23,25).
What are the key properties of 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid?
3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid has a molecular weight of 409.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 68819378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).