2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-methylpropan-1-one

C21H20ClF4N5O — CID 73335439

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-methylpropan-1-one

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-methylpropan-1-one (PubChem CID 73335439) has the molecular formula C21H20ClF4N5O and a molecular weight of 469.87 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-methylpropan-1-one.

Molecular Properties

• Compound Name: 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-methylpropan-1-one
• PubChem CID: 73335439
• Molecular Formula: C21H20ClF4N5O
• Molecular Weight: 469.87 g/mol
• Exact Mass: 469.13
• IUPAC Name: 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-methylpropan-1-one
• SMILES: Cc1c(Cl)c(C(F)(F)F)nn1C(C)(C)C(=O)N1CCCc2c1cnn2-c1ccc(F)cc1
• InChI: InChI=1S/C21H20ClF4N5O/c1-12-17(22)18(21(24,25)26)28-31(12)20(2,3)19(32)29-10-4-5-15-16(29)11-27-30(15)14-8-6-13(23)7-9-14/h6-9,11H,4-5,10H2,1-3H3
• InChIKey: GAHDCKAQCJKDMN-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 55.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.87
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-methylpropan-1-one?

The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-methylpropan-1-one (CID 73335439) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-methylpropan-1-one.

What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-methylpropan-1-one?

The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-methylpropan-1-one is Cc1c(Cl)c(C(F)(F)F)nn1C(C)(C)C(=O)N1CCCc2c1cnn2-c1ccc(F)cc1.

What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-methylpropan-1-one?

The InChIKey is GAHDCKAQCJKDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF4N5O/c1-12-17(22)18(21(24,25)26)28-31(12)20(2,3)19(32)29-10-4-5-15-16(29)11-27-30(15)14-8-6-13(23)7-9-14/h6-9,11H,4-5,10H2,1-3H3.

What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-methylpropan-1-one?

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-methylpropan-1-one has a molecular weight of 469.87 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-methylpropan-1-one is sourced from PubChem (CID 73335439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).