3-(4-methylpyrazol-1-yl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one

C19H24N6OS — CID 72879379

About 3-(4-methylpyrazol-1-yl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one

3-(4-methylpyrazol-1-yl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 72879379) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is 3-(4-methylpyrazol-1-yl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(4-methylpyrazol-1-yl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
• PubChem CID: 72879379
• Molecular Formula: C19H24N6OS
• Molecular Weight: 384.51 g/mol
• Exact Mass: 384.17
• IUPAC Name: 3-(4-methylpyrazol-1-yl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
• SMILES: Cc1cnn(CCC(=O)N2CCCC(c3nccn3Cc3cscn3)C2)c1
• InChI: InChI=1S/C19H24N6OS/c1-15-9-22-25(10-15)7-4-18(26)23-6-2-3-16(11-23)19-20-5-8-24(19)12-17-13-27-14-21-17/h5,8-10,13-14,16H,2-4,6-7,11-12H2,1H3
• InChIKey: JAQYUBMRFQROGN-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 68.84 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.51
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazol-1-yl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?

The IUPAC name of 3-(4-methylpyrazol-1-yl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one (CID 72879379) is 3-(4-methylpyrazol-1-yl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(4-methylpyrazol-1-yl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-(4-methylpyrazol-1-yl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one is Cc1cnn(CCC(=O)N2CCCC(c3nccn3Cc3cscn3)C2)c1.

What is the InChIKey of 3-(4-methylpyrazol-1-yl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?

The InChIKey is JAQYUBMRFQROGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-15-9-22-25(10-15)7-4-18(26)23-6-2-3-16(11-23)19-20-5-8-24(19)12-17-13-27-14-21-17/h5,8-10,13-14,16H,2-4,6-7,11-12H2,1H3.

What are the key properties of 3-(4-methylpyrazol-1-yl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?

3-(4-methylpyrazol-1-yl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 384.51 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methylpyrazol-1-yl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 72879379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).