5-(2-methylbenzoyl)-N-[(2R)-2-methylbutyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C20H26N4O2 — CID 93006024

About 5-(2-methylbenzoyl)-N-[(2R)-2-methylbutyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-(2-methylbenzoyl)-N-[(2R)-2-methylbutyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 93006024) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-(2-methylbenzoyl)-N-[(2R)-2-methylbutyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-methylbenzoyl)-N-[(2R)-2-methylbutyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 93006024
• Molecular Formula: C20H26N4O2
• Molecular Weight: 354.45 g/mol
• Exact Mass: 354.21
• IUPAC Name: 5-(2-methylbenzoyl)-N-[(2R)-2-methylbutyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CC[C@@H](C)CNC(=O)c1n[nH]c2c1CN(C(=O)c1ccccc1C)CC2
• InChI: InChI=1S/C20H26N4O2/c1-4-13(2)11-21-19(25)18-16-12-24(10-9-17(16)22-23-18)20(26)15-8-6-5-7-14(15)3/h5-8,13H,4,9-12H2,1-3H3,(H,21,25)(H,22,23)/t13-/m1/s1
• InChIKey: QUBIRUHSHXQVCM-CYBMUJFWSA-N
• XLogP: 2.69
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.45
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbenzoyl)-N-[(2R)-2-methylbutyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 5-(2-methylbenzoyl)-N-[(2R)-2-methylbutyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 93006024) is 5-(2-methylbenzoyl)-N-[(2R)-2-methylbutyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 5-(2-methylbenzoyl)-N-[(2R)-2-methylbutyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 5-(2-methylbenzoyl)-N-[(2R)-2-methylbutyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CC[C@@H](C)CNC(=O)c1n[nH]c2c1CN(C(=O)c1ccccc1C)CC2.

What is the InChIKey of 5-(2-methylbenzoyl)-N-[(2R)-2-methylbutyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is QUBIRUHSHXQVCM-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-13(2)11-21-19(25)18-16-12-24(10-9-17(16)22-23-18)20(26)15-8-6-5-7-14(15)3/h5-8,13H,4,9-12H2,1-3H3,(H,21,25)(H,22,23)/t13-/m1/s1.

What are the key properties of 5-(2-methylbenzoyl)-N-[(2R)-2-methylbutyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

5-(2-methylbenzoyl)-N-[(2R)-2-methylbutyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-methylbenzoyl)-N-[(2R)-2-methylbutyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 93006024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).