2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[3-fluoro-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

C24H22ClF4N7O — CID 162378925

About 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[3-fluoro-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[3-fluoro-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 162378925) has the molecular formula C24H22ClF4N7O and a molecular weight of 535.93 g/mol. Its IUPAC name is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[3-fluoro-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[3-fluoro-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
• PubChem CID: 162378925
• Molecular Formula: C24H22ClF4N7O
• Molecular Weight: 535.93 g/mol
• Exact Mass: 535.15
• IUPAC Name: 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[3-fluoro-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
• SMILES: Cc1cc(C(F)(F)F)n(-c2ccc(CN3C(=O)CCn4nc(-c5c(Cl)cnn5C(C)C)cc43)cc2F)n1
• InChI: InChI=1S/C24H22ClF4N7O/c1-13(2)35-23(16(25)11-30-35)18-10-21-33(22(37)6-7-34(21)32-18)12-15-4-5-19(17(26)9-15)36-20(24(27,28)29)8-14(3)31-36/h4-5,8-11,13H,6-7,12H2,1-3H3
• InChIKey: DPNADKXHOBSUFM-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 73.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.93
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[3-fluoro-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?

The IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[3-fluoro-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (CID 162378925) is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[3-fluoro-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.

What is the SMILES notation for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[3-fluoro-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?

The canonical SMILES for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[3-fluoro-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is Cc1cc(C(F)(F)F)n(-c2ccc(CN3C(=O)CCn4nc(-c5c(Cl)cnn5C(C)C)cc43)cc2F)n1.

What is the InChIKey of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[3-fluoro-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?

The InChIKey is DPNADKXHOBSUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF4N7O/c1-13(2)35-23(16(25)11-30-35)18-10-21-33(22(37)6-7-34(21)32-18)12-15-4-5-19(17(26)9-15)36-20(24(27,28)29)8-14(3)31-36/h4-5,8-11,13H,6-7,12H2,1-3H3.

What are the key properties of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[3-fluoro-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?

2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[3-fluoro-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 535.93 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[3-fluoro-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 162378925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).