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

C24H23ClF3N7O — CID 162378094

About 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[5-methyl-3-(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-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 162378094) has the molecular formula C24H23ClF3N7O and a molecular weight of 517.94 g/mol. Its IUPAC name is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[5-methyl-3-(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-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
• PubChem CID: 162378094
• Molecular Formula: C24H23ClF3N7O
• Molecular Weight: 517.94 g/mol
• Exact Mass: 517.16
• IUPAC Name: 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
• SMILES: Cc1cc(C(F)(F)F)nn1-c1ccc(CN2C(=O)CCn3nc(-c4c(Cl)cnn4C(C)C)cc32)cc1
• InChI: InChI=1S/C24H23ClF3N7O/c1-14(2)34-23(18(25)12-29-34)19-11-21-32(22(36)8-9-33(21)30-19)13-16-4-6-17(7-5-16)35-15(3)10-20(31-35)24(26,27)28/h4-7,10-12,14H,8-9,13H2,1-3H3
• InChIKey: XRQWAGJIWGXMKZ-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 73.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.94
LogP ≤ 5	5.43
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-[[4-[5-methyl-3-(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-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (CID 162378094) is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[5-methyl-3-(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-[[4-[5-methyl-3-(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-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is Cc1cc(C(F)(F)F)nn1-c1ccc(CN2C(=O)CCn3nc(-c4c(Cl)cnn4C(C)C)cc32)cc1.

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

The InChIKey is XRQWAGJIWGXMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF3N7O/c1-14(2)34-23(18(25)12-29-34)19-11-21-32(22(36)8-9-33(21)30-19)13-16-4-6-17(7-5-16)35-15(3)10-20(31-35)24(26,27)28/h4-7,10-12,14H,8-9,13H2,1-3H3.

What are the key properties of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[5-methyl-3-(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-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 517.94 g/mol, XLogP of 5.43, 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-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 162378094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).