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

C24H22ClF4N7O2 — CID 162378690

About 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[3-fluoro-4-[5-methoxy-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-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 162378690) has the molecular formula C24H22ClF4N7O2 and a molecular weight of 551.93 g/mol. Its IUPAC name is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[3-fluoro-4-[5-methoxy-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-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
• PubChem CID: 162378690
• Molecular Formula: C24H22ClF4N7O2
• Molecular Weight: 551.93 g/mol
• Exact Mass: 551.15
• IUPAC Name: 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
• SMILES: COc1cc(C(F)(F)F)nn1-c1ccc(CN2C(=O)CCn3nc(-c4c(Cl)cnn4C(C)C)cc32)cc1F
• InChI: InChI=1S/C24H22ClF4N7O2/c1-13(2)35-23(15(25)11-30-35)17-9-20-33(21(37)6-7-34(20)31-17)12-14-4-5-18(16(26)8-14)36-22(38-3)10-19(32-36)24(27,28)29/h4-5,8-11,13H,6-7,12H2,1-3H3
• InChIKey: IGUMWKSNCZPVEF-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 83.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.93
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[3-fluoro-4-[5-methoxy-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-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (CID 162378690) is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[3-fluoro-4-[5-methoxy-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-[[3-fluoro-4-[5-methoxy-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-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is COc1cc(C(F)(F)F)nn1-c1ccc(CN2C(=O)CCn3nc(-c4c(Cl)cnn4C(C)C)cc32)cc1F.

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

The InChIKey is IGUMWKSNCZPVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF4N7O2/c1-13(2)35-23(15(25)11-30-35)17-9-20-33(21(37)6-7-34(20)31-17)12-14-4-5-18(16(26)8-14)36-22(38-3)10-19(32-36)24(27,28)29/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-[5-methoxy-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-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 551.93 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 8 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-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 162378690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).