5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide;N-(2,6-difluorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;1-methyl-3-phenylpyrazole;bis((1-methyl-3-phenylpyrazol-5-yl)boronic acid);5-phenyl-1H-pyrazole

C71H61B2BrF4N12O6S2 — CID 157274937

About 5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide;N-(2,6-difluorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;1-methyl-3-phenylpyrazole;bis((1-methyl-3-phenylpyrazol-5-yl)boronic acid);5-phenyl-1H-pyrazole

5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide;N-(2,6-difluorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;1-methyl-3-phenylpyrazole;bis((1-methyl-3-phenylpyrazol-5-yl)boronic acid);5-phenyl-1H-pyrazole (PubChem CID 157274937) has the molecular formula C71H61B2BrF4N12O6S2 and a molecular weight of 1420.00 g/mol. Its IUPAC name is 5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide;N-(2,6-difluorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;1-methyl-3-phenylpyrazole;bis((1-methyl-3-phenylpyrazol-5-yl)boronic acid);5-phenyl-1H-pyrazole.

Molecular Properties

• Compound Name: 5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide;N-(2,6-difluorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;1-methyl-3-phenylpyrazole;bis((1-methyl-3-phenylpyrazol-5-yl)boronic acid);5-phenyl-1H-pyrazole
• PubChem CID: 157274937
• Molecular Formula: C71H61B2BrF4N12O6S2
• Molecular Weight: 1420.00 g/mol
• Exact Mass: 1418.36
• IUPAC Name: 5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide;N-(2,6-difluorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;1-methyl-3-phenylpyrazole;bis((1-methyl-3-phenylpyrazol-5-yl)boronic acid);5-phenyl-1H-pyrazole
• SMILES: Cn1ccc(-c2ccccc2)n1.Cn1nc(-c2ccccc2)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1.Cn1nc(-c2ccccc2)cc1B(O)O.Cn1nc(-c2ccccc2)cc1B(O)O.O=C(Nc1c(F)cccc1F)c1ccc(Br)s1.c1ccc(-c2ccn[nH]2)cc1
• InChI: InChI=1S/C21H15F2N3OS.C11H6BrF2NOS.2C10H11BN2O2.C10H10N2.C9H8N2/c1-26-17(12-16(25-26)13-6-3-2-4-7-13)18-10-11-19(28-18)21(27)24-20-14(22)8-5-9-15(20)23;12-9-5-4-8(17-9)11(16)15-10-6(13)2-1-3-7(10)14;2*1-13-10(11(14)15)7-9(12-13)8-5-3-2-4-6-8;1-12-8-7-10(11-12)9-5-3-2-4-6-9;1-2-4-8(5-3-1)9-6-7-10-11-9/h2-12H,1H3,(H,24,27);1-5H,(H,15,16);2*2-7,14-15H,1H3;2-8H,1H3;1-7H,(H,10,11)
• InChIKey: AYZFRJYFDWDVRW-UHFFFAOYSA-N
• XLogP: 13.08
• TPSA: 239.08 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1420.00
LogP ≤ 5	13.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide;N-(2,6-difluorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;1-methyl-3-phenylpyrazole;bis((1-methyl-3-phenylpyrazol-5-yl)boronic acid);5-phenyl-1H-pyrazole?

The IUPAC name of 5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide;N-(2,6-difluorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;1-methyl-3-phenylpyrazole;bis((1-methyl-3-phenylpyrazol-5-yl)boronic acid);5-phenyl-1H-pyrazole (CID 157274937) is 5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide;N-(2,6-difluorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;1-methyl-3-phenylpyrazole;bis((1-methyl-3-phenylpyrazol-5-yl)boronic acid);5-phenyl-1H-pyrazole.

What is the SMILES notation for 5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide;N-(2,6-difluorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;1-methyl-3-phenylpyrazole;bis((1-methyl-3-phenylpyrazol-5-yl)boronic acid);5-phenyl-1H-pyrazole?

The canonical SMILES for 5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide;N-(2,6-difluorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;1-methyl-3-phenylpyrazole;bis((1-methyl-3-phenylpyrazol-5-yl)boronic acid);5-phenyl-1H-pyrazole is Cn1ccc(-c2ccccc2)n1.Cn1nc(-c2ccccc2)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1.Cn1nc(-c2ccccc2)cc1B(O)O.Cn1nc(-c2ccccc2)cc1B(O)O.O=C(Nc1c(F)cccc1F)c1ccc(Br)s1.c1ccc(-c2ccn[nH]2)cc1.

What is the InChIKey of 5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide;N-(2,6-difluorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;1-methyl-3-phenylpyrazole;bis((1-methyl-3-phenylpyrazol-5-yl)boronic acid);5-phenyl-1H-pyrazole?

The InChIKey is AYZFRJYFDWDVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3OS.C11H6BrF2NOS.2C10H11BN2O2.C10H10N2.C9H8N2/c1-26-17(12-16(25-26)13-6-3-2-4-7-13)18-10-11-19(28-18)21(27)24-20-14(22)8-5-9-15(20)23;12-9-5-4-8(17-9)11(16)15-10-6(13)2-1-3-7(10)14;2*1-13-10(11(14)15)7-9(12-13)8-5-3-2-4-6-8;1-12-8-7-10(11-12)9-5-3-2-4-6-9;1-2-4-8(5-3-1)9-6-7-10-11-9/h2-12H,1H3,(H,24,27);1-5H,(H,15,16);2*2-7,14-15H,1H3;2-8H,1H3;1-7H,(H,10,11).

What are the key properties of 5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide;N-(2,6-difluorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;1-methyl-3-phenylpyrazole;bis((1-methyl-3-phenylpyrazol-5-yl)boronic acid);5-phenyl-1H-pyrazole?

5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide;N-(2,6-difluorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;1-methyl-3-phenylpyrazole;bis((1-methyl-3-phenylpyrazol-5-yl)boronic acid);5-phenyl-1H-pyrazole has a molecular weight of 1420.00 g/mol, XLogP of 13.08, 12 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-(2,6-difluorophenyl)thiophene-2-carboxamide;N-(2,6-difluorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;1-methyl-3-phenylpyrazole;bis((1-methyl-3-phenylpyrazol-5-yl)boronic acid);5-phenyl-1H-pyrazole is sourced from PubChem (CID 157274937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).