N-(3-bromo-2-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C68H81Br3ClF3N16O4 — CID 157230881

About N-(3-bromo-2-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(3-bromo-2-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 157230881) has the molecular formula C68H81Br3ClF3N16O4 and a molecular weight of 1518.66 g/mol. Its IUPAC name is N-(3-bromo-2-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-(3-bromo-2-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 157230881
• Molecular Formula: C68H81Br3ClF3N16O4
• Molecular Weight: 1518.66 g/mol
• Exact Mass: 1514.38
• IUPAC Name: N-(3-bromo-2-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: CC(C)(C)c1n[nH]c2c1CN(C(=O)Nc1ccc(F)c(Br)c1)CC2.CC(C)(C)c1n[nH]c2c1CN(C(=O)Nc1ccc(F)c(Cl)c1)CC2.CC(C)(C)c1n[nH]c2c1CN(C(=O)Nc1cccc(Br)c1)CC2.CC(C)(C)c1n[nH]c2c1CN(C(=O)Nc1cccc(Br)c1F)CC2
• InChI: InChI=1S/2C17H20BrFN4O.C17H21BrN4O.C17H20ClFN4O/c1-17(2,3)15-11-9-23(7-6-14(11)21-22-15)16(24)20-10-4-5-13(19)12(18)8-10;1-17(2,3)15-10-9-23(8-7-12(10)21-22-15)16(24)20-13-6-4-5-11(18)14(13)19;1-17(2,3)15-13-10-22(8-7-14(13)20-21-15)16(23)19-12-6-4-5-11(18)9-12;1-17(2,3)15-11-9-23(7-6-14(11)21-22-15)16(24)20-10-4-5-13(19)12(18)8-10/h4-5,8H,6-7,9H2,1-3H3,(H,20,24)(H,21,22);4-6H,7-9H2,1-3H3,(H,20,24)(H,21,22);4-6,9H,7-8,10H2,1-3H3,(H,19,23)(H,20,21);4-5,8H,6-7,9H2,1-3H3,(H,20,24)(H,21,22)
• InChIKey: AUBURUAZGMSQTG-UHFFFAOYSA-N
• XLogP: 16.55
• TPSA: 244.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1518.66
LogP ≤ 5	16.55
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of N-(3-bromo-2-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 157230881) is N-(3-bromo-2-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for N-(3-bromo-2-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for N-(3-bromo-2-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is CC(C)(C)c1n[nH]c2c1CN(C(=O)Nc1ccc(F)c(Br)c1)CC2.CC(C)(C)c1n[nH]c2c1CN(C(=O)Nc1ccc(F)c(Cl)c1)CC2.CC(C)(C)c1n[nH]c2c1CN(C(=O)Nc1cccc(Br)c1)CC2.CC(C)(C)c1n[nH]c2c1CN(C(=O)Nc1cccc(Br)c1F)CC2.

What is the InChIKey of N-(3-bromo-2-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is AUBURUAZGMSQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H20BrFN4O.C17H21BrN4O.C17H20ClFN4O/c1-17(2,3)15-11-9-23(7-6-14(11)21-22-15)16(24)20-10-4-5-13(19)12(18)8-10;1-17(2,3)15-10-9-23(8-7-12(10)21-22-15)16(24)20-13-6-4-5-11(18)14(13)19;1-17(2,3)15-13-10-22(8-7-14(13)20-21-15)16(23)19-12-6-4-5-11(18)9-12;1-17(2,3)15-11-9-23(7-6-14(11)21-22-15)16(24)20-10-4-5-13(19)12(18)8-10/h4-5,8H,6-7,9H2,1-3H3,(H,20,24)(H,21,22);4-6H,7-9H2,1-3H3,(H,20,24)(H,21,22);4-6,9H,7-8,10H2,1-3H3,(H,19,23)(H,20,21);4-5,8H,6-7,9H2,1-3H3,(H,20,24)(H,21,22).

What are the key properties of N-(3-bromo-2-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

N-(3-bromo-2-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 1518.66 g/mol, XLogP of 16.55, 4 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-bromo-2-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromophenyl)-3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 157230881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).