N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-indole-4-carboxamide;2,6-difluoro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide

C91H63F6N27O12 — CID 157449925

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-indole-4-carboxamide;2,6-difluoro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-indole-4-carboxamide;2,6-difluoro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide (PubChem CID 157449925) has the molecular formula C91H63F6N27O12 and a molecular weight of 1840.67 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-indole-4-carboxamide;2,6-difluoro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide.

Molecular Properties

• Compound Name: N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-indole-4-carboxamide;2,6-difluoro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide
• PubChem CID: 157449925
• Molecular Formula: C91H63F6N27O12
• Molecular Weight: 1840.67 g/mol
• Exact Mass: 1839.51
• IUPAC Name: N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-indole-4-carboxamide;2,6-difluoro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide
• SMILES: COc1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.O=C(Nc1cn[nH]c1-c1nc2ccc([N+](=O)[O-])cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1cccc2[nH]ccc12.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1cccc2c1OC(F)(F)O2.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1cccc2c1OCCO2
• InChI: InChI=1S/C19H14N6O.C19H15N5O3.C18H11F2N5O3.C18H13F2N5O2.C17H10F2N6O3/c26-19(12-4-3-7-13-11(12)8-9-20-13)24-16-10-21-25-17(16)18-22-14-5-1-2-6-15(14)23-18;25-19(11-4-3-7-15-17(11)27-9-8-26-15)23-14-10-20-24-16(14)18-21-12-5-1-2-6-13(12)22-18;19-18(20)27-13-7-3-4-9(15(13)28-18)17(26)24-12-8-21-25-14(12)16-22-10-5-1-2-6-11(10)23-16;1-27-9-5-6-12-13(7-9)23-17(22-12)16-14(8-21-25-16)24-18(26)15-10(19)3-2-4-11(15)20;18-9-2-1-3-10(19)14(9)17(26)23-13-7-20-24-15(13)16-21-11-5-4-8(25(27)28)6-12(11)22-16/h1-10,20H,(H,21,25)(H,22,23)(H,24,26);1-7,10H,8-9H2,(H,20,24)(H,21,22)(H,23,25);1-8H,(H,21,25)(H,22,23)(H,24,26);2-8H,1H3,(H,21,25)(H,22,23)(H,24,26);1-7H,(H,20,24)(H,21,22)(H,23,26)
• InChIKey: BSRHQPAUQITSPI-UHFFFAOYSA-N
• XLogP: 17.07
• TPSA: 537.38 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1840.67
LogP ≤ 5	17.07
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-indole-4-carboxamide;2,6-difluoro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide?

The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-indole-4-carboxamide;2,6-difluoro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide (CID 157449925) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-indole-4-carboxamide;2,6-difluoro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide.

What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-indole-4-carboxamide;2,6-difluoro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide?

The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-indole-4-carboxamide;2,6-difluoro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide is COc1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.O=C(Nc1cn[nH]c1-c1nc2ccc([N+](=O)[O-])cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1cccc2[nH]ccc12.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1cccc2c1OC(F)(F)O2.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1cccc2c1OCCO2.

What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-indole-4-carboxamide;2,6-difluoro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide?

The InChIKey is BSRHQPAUQITSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O.C19H15N5O3.C18H11F2N5O3.C18H13F2N5O2.C17H10F2N6O3/c26-19(12-4-3-7-13-11(12)8-9-20-13)24-16-10-21-25-17(16)18-22-14-5-1-2-6-15(14)23-18;25-19(11-4-3-7-15-17(11)27-9-8-26-15)23-14-10-20-24-16(14)18-21-12-5-1-2-6-13(12)22-18;19-18(20)27-13-7-3-4-9(15(13)28-18)17(26)24-12-8-21-25-14(12)16-22-10-5-1-2-6-11(10)23-16;1-27-9-5-6-12-13(7-9)23-17(22-12)16-14(8-21-25-16)24-18(26)15-10(19)3-2-4-11(15)20;18-9-2-1-3-10(19)14(9)17(26)23-13-7-20-24-15(13)16-21-11-5-4-8(25(27)28)6-12(11)22-16/h1-10,20H,(H,21,25)(H,22,23)(H,24,26);1-7,10H,8-9H2,(H,20,24)(H,21,22)(H,23,25);1-8H,(H,21,25)(H,22,23)(H,24,26);2-8H,1H3,(H,21,25)(H,22,23)(H,24,26);1-7H,(H,20,24)(H,21,22)(H,23,26).

What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-indole-4-carboxamide;2,6-difluoro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide?

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-indole-4-carboxamide;2,6-difluoro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide has a molecular weight of 1840.67 g/mol, XLogP of 17.07, 17 rotatable bonds, 16 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1H-indole-4-carboxamide;2,6-difluoro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 157449925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).