(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-one

C21H31N5O — CID 51593974

About (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-one

(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-one (PubChem CID 51593974) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-one.

Molecular Properties

• Compound Name: (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-one
• PubChem CID: 51593974
• Molecular Formula: C21H31N5O
• Molecular Weight: 369.51 g/mol
• Exact Mass: 369.25
• IUPAC Name: (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-one
• SMILES: CCC[C@H](C(=O)N1CCN(Cc2ncccc2C)CC1)n1nc(C)cc1C
• InChI: InChI=1S/C21H31N5O/c1-5-7-20(26-18(4)14-17(3)23-26)21(27)25-12-10-24(11-13-25)15-19-16(2)8-6-9-22-19/h6,8-9,14,20H,5,7,10-13,15H2,1-4H3/t20-/m1/s1
• InChIKey: JFFBITKELUWBDJ-HXUWFJFHSA-N
• XLogP: 2.89
• TPSA: 54.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.51
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-one?

The IUPAC name of (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-one (CID 51593974) is (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-one.

What is the SMILES notation for (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-one?

The canonical SMILES for (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-one is CCC[C@H](C(=O)N1CCN(Cc2ncccc2C)CC1)n1nc(C)cc1C.

What is the InChIKey of (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-one?

The InChIKey is JFFBITKELUWBDJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H31N5O/c1-5-7-20(26-18(4)14-17(3)23-26)21(27)25-12-10-24(11-13-25)15-19-16(2)8-6-9-22-19/h6,8-9,14,20H,5,7,10-13,15H2,1-4H3/t20-/m1/s1.

What are the key properties of (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-one?

(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-one has a molecular weight of 369.51 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 51593974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).