[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

C19H22N6O — CID 110106668

About [3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (PubChem CID 110106668) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is [3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

• Compound Name: [3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
• PubChem CID: 110106668
• Molecular Formula: C19H22N6O
• Molecular Weight: 350.43 g/mol
• Exact Mass: 350.19
• IUPAC Name: [3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
• SMILES: Cc1cn[nH]c1CC1CCCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C1
• InChI: InChI=1S/C19H22N6O/c1-13-10-21-22-16(13)8-14-4-3-7-25(12-14)19(26)18-9-17(23-24-18)15-5-2-6-20-11-15/h2,5-6,9-11,14H,3-4,7-8,12H2,1H3,(H,21,22)(H,23,24)
• InChIKey: RJRHISUYDLMMLS-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 90.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.43
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?

The IUPAC name of [3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (CID 110106668) is [3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.

What is the SMILES notation for [3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?

The canonical SMILES for [3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is Cc1cn[nH]c1CC1CCCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C1.

What is the InChIKey of [3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?

The InChIKey is RJRHISUYDLMMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-10-21-22-16(13)8-14-4-3-7-25(12-14)19(26)18-9-17(23-24-18)15-5-2-6-20-11-15/h2,5-6,9-11,14H,3-4,7-8,12H2,1H3,(H,21,22)(H,23,24).

What are the key properties of [3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?

[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 350.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 110106668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).