3-bromo-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide;3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1H-pyrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C53H53Br2Cl3N18O3 — CID 159313868

About 3-bromo-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide;3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1H-pyrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

3-bromo-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide;3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1H-pyrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 159313868) has the molecular formula C53H53Br2Cl3N18O3 and a molecular weight of 1256.30 g/mol. Its IUPAC name is 3-bromo-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide;3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1H-pyrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 3-bromo-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide;3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1H-pyrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 159313868
• Molecular Formula: C53H53Br2Cl3N18O3
• Molecular Weight: 1256.30 g/mol
• Exact Mass: 1252.20
• IUPAC Name: 3-bromo-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide;3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1H-pyrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: Brc1n[nH]c2c1CNCC2.Cn1nccc1-c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.O=C(Nc1cccc(Cl)c1)C1CCc2[nH]nc(Br)c2C1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccn[nH]3)c2C1
• InChI: InChI=1S/C17H17ClN6O.C16H15ClN6O.C14H13BrClN3O.C6H8BrN3/c1-23-15(5-7-19-23)16-13-10-24(8-6-14(13)21-22-16)17(25)20-12-4-2-3-11(18)9-12;17-10-2-1-3-11(8-10)19-16(24)23-7-5-13-12(9-23)15(22-21-13)14-4-6-18-20-14;15-13-11-6-8(4-5-12(11)18-19-13)14(20)17-10-3-1-2-9(16)7-10;7-6-4-3-8-2-1-5(4)9-10-6/h2-5,7,9H,6,8,10H2,1H3,(H,20,25)(H,21,22);1-4,6,8H,5,7,9H2,(H,18,20)(H,19,24)(H,21,22);1-3,7-8H,4-6H2,(H,17,20)(H,18,19);8H,1-3H2,(H,9,10)
• InChIKey: LCWQWDLZERGKCT-UHFFFAOYSA-N
• XLogP: 10.48
• TPSA: 267.03 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1256.30
LogP ≤ 5	10.48
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide;3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1H-pyrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of 3-bromo-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide;3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1H-pyrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 159313868) is 3-bromo-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide;3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1H-pyrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for 3-bromo-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide;3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1H-pyrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for 3-bromo-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide;3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1H-pyrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Brc1n[nH]c2c1CNCC2.Cn1nccc1-c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.O=C(Nc1cccc(Cl)c1)C1CCc2[nH]nc(Br)c2C1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccn[nH]3)c2C1.

What is the InChIKey of 3-bromo-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide;3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1H-pyrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is LCWQWDLZERGKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O.C16H15ClN6O.C14H13BrClN3O.C6H8BrN3/c1-23-15(5-7-19-23)16-13-10-24(8-6-14(13)21-22-16)17(25)20-12-4-2-3-11(18)9-12;17-10-2-1-3-11(8-10)19-16(24)23-7-5-13-12(9-23)15(22-21-13)14-4-6-18-20-14;15-13-11-6-8(4-5-12(11)18-19-13)14(20)17-10-3-1-2-9(16)7-10;7-6-4-3-8-2-1-5(4)9-10-6/h2-5,7,9H,6,8,10H2,1H3,(H,20,25)(H,21,22);1-4,6,8H,5,7,9H2,(H,18,20)(H,19,24)(H,21,22);1-3,7-8H,4-6H2,(H,17,20)(H,18,19);8H,1-3H2,(H,9,10).

What are the key properties of 3-bromo-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide;3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1H-pyrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

3-bromo-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide;3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1H-pyrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 1256.30 g/mol, XLogP of 10.48, 6 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide;3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1H-pyrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 159313868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).