4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

C25H27F4N7O — CID 162378814

About 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (PubChem CID 162378814) has the molecular formula C25H27F4N7O and a molecular weight of 517.53 g/mol. Its IUPAC name is 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
• PubChem CID: 162378814
• Molecular Formula: C25H27F4N7O
• Molecular Weight: 517.53 g/mol
• Exact Mass: 517.22
• IUPAC Name: 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
• SMILES: COc1cc(C(F)(F)F)nn1-c1ccc(CN2CCCn3nc(-c4c(C)cnn4C(C)C)cc32)cc1F
• InChI: InChI=1S/C25H27F4N7O/c1-15(2)35-24(16(3)13-30-35)19-11-22-33(8-5-9-34(22)31-19)14-17-6-7-20(18(26)10-17)36-23(37-4)12-21(32-36)25(27,28)29/h6-7,10-13,15H,5,8-9,14H2,1-4H3
• InChIKey: NMEAIJIEIMXRAU-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 65.93 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.53
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?

The IUPAC name of 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (CID 162378814) is 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

What is the SMILES notation for 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?

The canonical SMILES for 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is COc1cc(C(F)(F)F)nn1-c1ccc(CN2CCCn3nc(-c4c(C)cnn4C(C)C)cc32)cc1F.

What is the InChIKey of 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?

The InChIKey is NMEAIJIEIMXRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F4N7O/c1-15(2)35-24(16(3)13-30-35)19-11-22-33(8-5-9-34(22)31-19)14-17-6-7-20(18(26)10-17)36-23(37-4)12-21(32-36)25(27,28)29/h6-7,10-13,15H,5,8-9,14H2,1-4H3.

What are the key properties of 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?

4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 517.53 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162378814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).