1-[(2,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine

C21H20F3N3 — CID 45216943

About 1-[(2,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine

1-[(2,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 45216943) has the molecular formula C21H20F3N3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

• Compound Name: 1-[(2,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
• PubChem CID: 45216943
• Molecular Formula: C21H20F3N3
• Molecular Weight: 371.41 g/mol
• Exact Mass: 371.16
• IUPAC Name: 1-[(2,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
• SMILES: Fc1ccc(-c2cn[nH]c2C2CCCN(Cc3ccc(F)cc3F)C2)cc1
• InChI: InChI=1S/C21H20F3N3/c22-17-6-3-14(4-7-17)19-11-25-26-21(19)16-2-1-9-27(13-16)12-15-5-8-18(23)10-20(15)24/h3-8,10-11,16H,1-2,9,12-13H2,(H,25,26)
• InChIKey: JYZIYSDUIJRZFQ-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 31.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.41
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine?

The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine (CID 45216943) is 1-[(2,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine.

What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine?

The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine is Fc1ccc(-c2cn[nH]c2C2CCCN(Cc3ccc(F)cc3F)C2)cc1.

What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine?

The InChIKey is JYZIYSDUIJRZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3/c22-17-6-3-14(4-7-17)19-11-25-26-21(19)16-2-1-9-27(13-16)12-15-5-8-18(23)10-20(15)24/h3-8,10-11,16H,1-2,9,12-13H2,(H,25,26).

What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine?

1-[(2,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 371.41 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 45216943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).