2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone

C19H26N4O — CID 124981044

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone (PubChem CID 124981044) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
• PubChem CID: 124981044
• Molecular Formula: C19H26N4O
• Molecular Weight: 326.44 g/mol
• Exact Mass: 326.21
• IUPAC Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
• SMILES: Cc1ccc(C[C@H]2CCCN(C(=O)Cc3c(C)n[nH]c3C)C2)cn1
• InChI: InChI=1S/C19H26N4O/c1-13-6-7-16(11-20-13)9-17-5-4-8-23(12-17)19(24)10-18-14(2)21-22-15(18)3/h6-7,11,17H,4-5,8-10,12H2,1-3H3,(H,21,22)/t17-/m1/s1
• InChIKey: MNHWTTHPHBUSCQ-QGZVFWFLSA-N
• XLogP: 2.75
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.44
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone (CID 124981044) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone is Cc1ccc(C[C@H]2CCCN(C(=O)Cc3c(C)n[nH]c3C)C2)cn1.

What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone?

The InChIKey is MNHWTTHPHBUSCQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13-6-7-16(11-20-13)9-17-5-4-8-23(12-17)19(24)10-18-14(2)21-22-15(18)3/h6-7,11,17H,4-5,8-10,12H2,1-3H3,(H,21,22)/t17-/m1/s1.

What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone?

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone has a molecular weight of 326.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124981044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).