1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one

C17H24N4OS — CID 56778992

About 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one

1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one (PubChem CID 56778992) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
• PubChem CID: 56778992
• Molecular Formula: C17H24N4OS
• Molecular Weight: 332.47 g/mol
• Exact Mass: 332.17
• IUPAC Name: 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
• SMILES: Cc1cc(C)n(CC2CCCCN2C(=O)CCc2cscn2)n1
• InChI: InChI=1S/C17H24N4OS/c1-13-9-14(2)21(19-13)10-16-5-3-4-8-20(16)17(22)7-6-15-11-23-12-18-15/h9,11-12,16H,3-8,10H2,1-2H3
• InChIKey: SRMHIWQJHLDQEC-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 51.02 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.47
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one?

The IUPAC name of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one (CID 56778992) is 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one.

What is the SMILES notation for 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one?

The canonical SMILES for 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one is Cc1cc(C)n(CC2CCCCN2C(=O)CCc2cscn2)n1.

What is the InChIKey of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one?

The InChIKey is SRMHIWQJHLDQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-13-9-14(2)21(19-13)10-16-5-3-4-8-20(16)17(22)7-6-15-11-23-12-18-15/h9,11-12,16H,3-8,10H2,1-2H3.

What are the key properties of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one?

1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one has a molecular weight of 332.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 56778992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).