N-benzyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-benzyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate;methane;N-methyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;methyl 3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylate;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carbonyl chloride;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylic acid

C149H120ClN23O12S9 — CID 159876642

About N-benzyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-benzyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate;methane;N-methyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;methyl 3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylate;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carbonyl chloride;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylic acid

N-benzyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-benzyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate;methane;N-methyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;methyl 3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylate;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carbonyl chloride;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylic acid (PubChem CID 159876642) has the molecular formula C149H120ClN23O12S9 and a molecular weight of 2748.80 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-benzyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate;methane;N-methyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;methyl 3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylate;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carbonyl chloride;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: N-benzyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-benzyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate;methane;N-methyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;methyl 3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylate;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carbonyl chloride;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
• PubChem CID: 159876642
• Molecular Formula: C149H120ClN23O12S9
• Molecular Weight: 2748.80 g/mol
• Exact Mass: 2745.67
• IUPAC Name: N-benzyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-benzyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate;methane;N-methyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;methyl 3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylate;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carbonyl chloride;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
• SMILES: C.CCN(C(=O)c1cc2c(-c3ccccc3)[nH]nc2s1)c1ccccc1.CCOC(=O)c1cc2c(-c3ccccc3)nn(C)c2s1.CN(C(=O)c1cc2c(-c3ccccc3)[nH]nc2s1)c1ccccc1.CN(Cc1ccccc1)C(=O)c1cc2c(-c3ccccc3)[nH]nc2s1.COC(=O)c1cc2c(-c3ccccc3)[nH]nc2s1.O=C(Cl)c1cc2c(-c3ccccc3)[nH]nc2s1.O=C(NCc1ccccc1)c1cc2c(-c3ccccc3)[nH]nc2s1.O=C(Nc1ccccc1)c1cc2c(-c3ccccc3)[nH]nc2s1.O=C(O)c1cc2c(-c3ccccc3)[nH]nc2s1
• InChI: InChI=1S/2C20H17N3OS.2C19H15N3OS.C18H13N3OS.C15H14N2O2S.C13H10N2O2S.C12H7ClN2OS.C12H8N2O2S.CH4/c1-23(13-14-8-4-2-5-9-14)20(24)17-12-16-18(21-22-19(16)25-17)15-10-6-3-7-11-15;1-2-23(15-11-7-4-8-12-15)20(24)17-13-16-18(21-22-19(16)25-17)14-9-5-3-6-10-14;1-22(14-10-6-3-7-11-14)19(23)16-12-15-17(20-21-18(15)24-16)13-8-4-2-5-9-13;23-18(20-12-13-7-3-1-4-8-13)16-11-15-17(21-22-19(15)24-16)14-9-5-2-6-10-14;22-17(19-13-9-5-2-6-10-13)15-11-14-16(20-21-18(14)23-15)12-7-3-1-4-8-12;1-3-19-15(18)12-9-11-13(10-7-5-4-6-8-10)16-17(2)14(11)20-12;1-17-13(16)10-7-9-11(14-15-12(9)18-10)8-5-3-2-4-6-8;13-11(16)9-6-8-10(14-15-12(8)17-9)7-4-2-1-3-5-7;15-12(16)9-6-8-10(13-14-11(8)17-9)7-4-2-1-3-5-7;/h2-12H,13H2,1H3,(H,21,22);3-13H,2H2,1H3,(H,21,22);2-12H,1H3,(H,20,21);1-11H,12H2,(H,20,23)(H,21,22);1-11H,(H,19,22)(H,20,21);4-9H,3H2,1-2H3;2-7H,1H3,(H,14,15);1-6H,(H,14,15);1-6H,(H,13,14)(H,15,16);1H4
• InChIKey: NSZJIUQMFJCINT-UHFFFAOYSA-N
• XLogP: 36.71
• TPSA: 473.36 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2748.80
LogP ≤ 5	36.71
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-benzyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate;methane;N-methyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;methyl 3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylate;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carbonyl chloride;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylic acid?

The IUPAC name of N-benzyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-benzyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate;methane;N-methyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;methyl 3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylate;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carbonyl chloride;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylic acid (CID 159876642) is N-benzyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-benzyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate;methane;N-methyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;methyl 3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylate;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carbonyl chloride;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylic acid.

What is the SMILES notation for N-benzyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-benzyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate;methane;N-methyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;methyl 3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylate;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carbonyl chloride;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylic acid?

The canonical SMILES for N-benzyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-benzyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate;methane;N-methyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;methyl 3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylate;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carbonyl chloride;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylic acid is C.CCN(C(=O)c1cc2c(-c3ccccc3)[nH]nc2s1)c1ccccc1.CCOC(=O)c1cc2c(-c3ccccc3)nn(C)c2s1.CN(C(=O)c1cc2c(-c3ccccc3)[nH]nc2s1)c1ccccc1.CN(Cc1ccccc1)C(=O)c1cc2c(-c3ccccc3)[nH]nc2s1.COC(=O)c1cc2c(-c3ccccc3)[nH]nc2s1.O=C(Cl)c1cc2c(-c3ccccc3)[nH]nc2s1.O=C(NCc1ccccc1)c1cc2c(-c3ccccc3)[nH]nc2s1.O=C(Nc1ccccc1)c1cc2c(-c3ccccc3)[nH]nc2s1.O=C(O)c1cc2c(-c3ccccc3)[nH]nc2s1.

What is the InChIKey of N-benzyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-benzyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate;methane;N-methyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;methyl 3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylate;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carbonyl chloride;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylic acid?

The InChIKey is NSZJIUQMFJCINT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H17N3OS.2C19H15N3OS.C18H13N3OS.C15H14N2O2S.C13H10N2O2S.C12H7ClN2OS.C12H8N2O2S.CH4/c1-23(13-14-8-4-2-5-9-14)20(24)17-12-16-18(21-22-19(16)25-17)15-10-6-3-7-11-15;1-2-23(15-11-7-4-8-12-15)20(24)17-13-16-18(21-22-19(16)25-17)14-9-5-3-6-10-14;1-22(14-10-6-3-7-11-14)19(23)16-12-15-17(20-21-18(15)24-16)13-8-4-2-5-9-13;23-18(20-12-13-7-3-1-4-8-13)16-11-15-17(21-22-19(15)24-16)14-9-5-2-6-10-14;22-17(19-13-9-5-2-6-10-13)15-11-14-16(20-21-18(14)23-15)12-7-3-1-4-8-12;1-3-19-15(18)12-9-11-13(10-7-5-4-6-8-10)16-17(2)14(11)20-12;1-17-13(16)10-7-9-11(14-15-12(9)18-10)8-5-3-2-4-6-8;13-11(16)9-6-8-10(14-15-12(8)17-9)7-4-2-1-3-5-7;15-12(16)9-6-8-10(13-14-11(8)17-9)7-4-2-1-3-5-7;/h2-12H,13H2,1H3,(H,21,22);3-13H,2H2,1H3,(H,21,22);2-12H,1H3,(H,20,21);1-11H,12H2,(H,20,23)(H,21,22);1-11H,(H,19,22)(H,20,21);4-9H,3H2,1-2H3;2-7H,1H3,(H,14,15);1-6H,(H,14,15);1-6H,(H,13,14)(H,15,16);1H4.

What are the key properties of N-benzyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-benzyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate;methane;N-methyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;methyl 3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylate;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carbonyl chloride;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylic acid?

N-benzyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-benzyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate;methane;N-methyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;methyl 3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylate;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carbonyl chloride;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylic acid has a molecular weight of 2748.80 g/mol, XLogP of 36.71, 27 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-benzyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate;methane;N-methyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;methyl 3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylate;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carbonyl chloride;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 159876642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).