5-[4-(4-chlorophenyl)butanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C17H19ClN4O2 — CID 70759154

About 5-[4-(4-chlorophenyl)butanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-[4-(4-chlorophenyl)butanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 70759154) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)butanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-(4-chlorophenyl)butanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 70759154
• Molecular Formula: C17H19ClN4O2
• Molecular Weight: 346.82 g/mol
• Exact Mass: 346.12
• IUPAC Name: 5-[4-(4-chlorophenyl)butanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: NC(=O)c1n[nH]c2c1CN(C(=O)CCCc1ccc(Cl)cc1)CC2
• InChI: InChI=1S/C17H19ClN4O2/c18-12-6-4-11(5-7-12)2-1-3-15(23)22-9-8-14-13(10-22)16(17(19)24)21-20-14/h4-7H,1-3,8-10H2,(H2,19,24)(H,20,21)
• InChIKey: DPWPZPURODPCMW-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 92.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.82
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 5-[4-(4-chlorophenyl)butanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 70759154) is 5-[4-(4-chlorophenyl)butanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 5-[4-(4-chlorophenyl)butanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is NC(=O)c1n[nH]c2c1CN(C(=O)CCCc1ccc(Cl)cc1)CC2.

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

The InChIKey is DPWPZPURODPCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-12-6-4-11(5-7-12)2-1-3-15(23)22-9-8-14-13(10-22)16(17(19)24)21-20-14/h4-7H,1-3,8-10H2,(H2,19,24)(H,20,21).

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

5-[4-(4-chlorophenyl)butanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-chlorophenyl)butanoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 70759154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).