(1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C20H24N6O — CID 97142614

About (1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 97142614) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 97142614
• Molecular Formula: C20H24N6O
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.20
• IUPAC Name: (1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: CCn1cc(C(=O)N2CCC[C@H](c3nccn3Cc3ccccn3)C2)cn1
• InChI: InChI=1S/C20H24N6O/c1-2-26-14-17(12-23-26)20(27)25-10-5-6-16(13-25)19-22-9-11-24(19)15-18-7-3-4-8-21-18/h3-4,7-9,11-12,14,16H,2,5-6,10,13,15H2,1H3/t16-/m0/s1
• InChIKey: NNMIWLZUWNJAFE-INIZCTEOSA-N
• XLogP: 2.56
• TPSA: 68.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 97142614) is (1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is CCn1cc(C(=O)N2CCC[C@H](c3nccn3Cc3ccccn3)C2)cn1.

What is the InChIKey of (1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is NNMIWLZUWNJAFE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N6O/c1-2-26-14-17(12-23-26)20(27)25-10-5-6-16(13-25)19-22-9-11-24(19)15-18-7-3-4-8-21-18/h3-4,7-9,11-12,14,16H,2,5-6,10,13,15H2,1H3/t16-/m0/s1.

What are the key properties of (1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

(1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97142614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).