3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide

C27H25N7O3S — CID 67159226

About 3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide

3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 67159226) has the molecular formula C27H25N7O3S and a molecular weight of 527.61 g/mol. Its IUPAC name is 3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
• PubChem CID: 67159226
• Molecular Formula: C27H25N7O3S
• Molecular Weight: 527.61 g/mol
• Exact Mass: 527.17
• IUPAC Name: 3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
• SMILES: Cn1nccc1C(=O)Nc1ccccc1C(=O)Nc1[nH]nc2sc(C(=O)NC(C)(C)c3ccccc3)cc12
• InChI: InChI=1S/C27H25N7O3S/c1-27(2,16-9-5-4-6-10-16)31-25(37)21-15-18-22(32-33-26(18)38-21)30-23(35)17-11-7-8-12-19(17)29-24(36)20-13-14-28-34(20)3/h4-15H,1-3H3,(H,29,36)(H,31,37)(H2,30,32,33,35)
• InChIKey: MMIVWFYLYORHFT-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 133.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.61
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide?

The IUPAC name of 3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 67159226) is 3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide.

What is the SMILES notation for 3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide?

The canonical SMILES for 3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide is Cn1nccc1C(=O)Nc1ccccc1C(=O)Nc1[nH]nc2sc(C(=O)NC(C)(C)c3ccccc3)cc12.

What is the InChIKey of 3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide?

The InChIKey is MMIVWFYLYORHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O3S/c1-27(2,16-9-5-4-6-10-16)31-25(37)21-15-18-22(32-33-26(18)38-21)30-23(35)17-11-7-8-12-19(17)29-24(36)20-13-14-28-34(20)3/h4-15H,1-3H3,(H,29,36)(H,31,37)(H2,30,32,33,35).

What are the key properties of 3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide?

3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 527.61 g/mol, XLogP of 4.53, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 67159226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).