3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one

C19H26N4O — CID 124979678

About 3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one

3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 124979678) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one
• PubChem CID: 124979678
• Molecular Formula: C19H26N4O
• Molecular Weight: 326.44 g/mol
• Exact Mass: 326.21
• IUPAC Name: 3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one
• SMILES: Cc1ccc(C[C@H]2CCCN(C(=O)CCc3ccnn3C)C2)cn1
• InChI: InChI=1S/C19H26N4O/c1-15-5-6-16(13-20-15)12-17-4-3-11-23(14-17)19(24)8-7-18-9-10-21-22(18)2/h5-6,9-10,13,17H,3-4,7-8,11-12,14H2,1-2H3/t17-/m1/s1
• InChIKey: MDDQZVZYNPSKRX-QGZVFWFLSA-N
• XLogP: 2.54
• TPSA: 51.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.44
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one?

The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one (CID 124979678) is 3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one is Cc1ccc(C[C@H]2CCCN(C(=O)CCc3ccnn3C)C2)cn1.

What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one?

The InChIKey is MDDQZVZYNPSKRX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-5-6-16(13-20-15)12-17-4-3-11-23(14-17)19(24)8-7-18-9-10-21-22(18)2/h5-6,9-10,13,17H,3-4,7-8,11-12,14H2,1-2H3/t17-/m1/s1.

What are the key properties of 3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one?

3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 326.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124979678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).