3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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;methanol

C47H48BrCl3N16O4 — CID 160846268

About 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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;methanol

3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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;methanol (PubChem CID 160846268) has the molecular formula C47H48BrCl3N16O4 and a molecular weight of 1087.27 g/mol. Its IUPAC name is 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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;methanol.

Molecular Properties

• Compound Name: 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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;methanol
• PubChem CID: 160846268
• Molecular Formula: C47H48BrCl3N16O4
• Molecular Weight: 1087.27 g/mol
• Exact Mass: 1084.23
• IUPAC Name: 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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;methanol
• SMILES: CO.Cn1nccc1-c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccn[nH]3)c2C1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(Br)c2C1
• InChI: InChI=1S/C17H17ClN6O.C16H15ClN6O.C13H12BrClN4O.CH4O/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;14-12-10-7-19(5-4-11(10)17-18-12)13(20)16-9-3-1-2-8(15)6-9;1-2/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);1-3,6H,4-5,7H2,(H,16,20)(H,17,18);2H,1H3
• InChIKey: SIRKEPCEZQIJRS-UHFFFAOYSA-N
• XLogP: 9.12
• TPSA: 249.79 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1087.27
LogP ≤ 5	9.12
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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;methanol?

The IUPAC name of 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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;methanol (CID 160846268) is 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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;methanol.

What is the SMILES notation for 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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;methanol?

The canonical SMILES for 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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;methanol is CO.Cn1nccc1-c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccn[nH]3)c2C1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(Br)c2C1.

What is the InChIKey of 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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;methanol?

The InChIKey is SIRKEPCEZQIJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O.C16H15ClN6O.C13H12BrClN4O.CH4O/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;14-12-10-7-19(5-4-11(10)17-18-12)13(20)16-9-3-1-2-8(15)6-9;1-2/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);1-3,6H,4-5,7H2,(H,16,20)(H,17,18);2H,1H3.

What are the key properties of 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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;methanol?

3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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;methanol has a molecular weight of 1087.27 g/mol, XLogP of 9.12, 5 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;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;methanol is sourced from PubChem (CID 160846268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).