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

C22H20F3N5 — CID 29151930

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

1-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine (PubChem CID 29151930) has the molecular formula C22H20F3N5 and a molecular weight of 411.43 g/mol. Its IUPAC name is 1-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine.

Molecular Properties

• Compound Name: 1-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine
• PubChem CID: 29151930
• Molecular Formula: C22H20F3N5
• Molecular Weight: 411.43 g/mol
• Exact Mass: 411.17
• IUPAC Name: 1-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine
• SMILES: Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1cn[nH]c1-c1ccc(F)cc1F
• InChI: InChI=1S/C22H20F3N5/c1-13-20(14(2)30(29-13)18-6-3-16(23)4-7-18)12-26-10-15-11-27-28-22(15)19-8-5-17(24)9-21(19)25/h3-9,11,26H,10,12H2,1-2H3,(H,27,28)
• InChIKey: DSZNPROEAQXCEV-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 58.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.43
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine (CID 29151930) is 1-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine.

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

The canonical SMILES for 1-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine is Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1cn[nH]c1-c1ccc(F)cc1F.

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

The InChIKey is DSZNPROEAQXCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5/c1-13-20(14(2)30(29-13)18-6-3-16(23)4-7-18)12-26-10-15-11-27-28-22(15)19-8-5-17(24)9-21(19)25/h3-9,11,26H,10,12H2,1-2H3,(H,27,28).

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

1-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine has a molecular weight of 411.43 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 29151930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).