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

C24H23ClF3N7O2 — CID 162378546

About 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[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-[[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 162378546) has the molecular formula C24H23ClF3N7O2 and a molecular weight of 533.94 g/mol. Its IUPAC name is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[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-[[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
• PubChem CID: 162378546
• Molecular Formula: C24H23ClF3N7O2
• Molecular Weight: 533.94 g/mol
• Exact Mass: 533.16
• IUPAC Name: 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[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)cc1
• InChI: InChI=1S/C24H23ClF3N7O2/c1-14(2)34-23(17(25)12-29-34)18-10-20-32(21(36)8-9-33(20)30-18)13-15-4-6-16(7-5-15)35-22(37-3)11-19(31-35)24(26,27)28/h4-7,10-12,14H,8-9,13H2,1-3H3
• InChIKey: RPZNMSSLCXXLEB-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 83.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.94
LogP ≤ 5	5.13
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-[[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-[[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (CID 162378546) is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[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-[[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-[[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)cc1.

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

The InChIKey is RPZNMSSLCXXLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF3N7O2/c1-14(2)34-23(17(25)12-29-34)18-10-20-32(21(36)8-9-33(20)30-18)13-15-4-6-16(7-5-15)35-22(37-3)11-19(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-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-[[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 533.94 g/mol, XLogP of 5.13, 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-[[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 162378546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).