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

C25H25ClF3N7O2 — CID 162378766

About 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[5-(methoxymethyl)-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-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 162378766) has the molecular formula C25H25ClF3N7O2 and a molecular weight of 547.97 g/mol. Its IUPAC name is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[5-(methoxymethyl)-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-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
• PubChem CID: 162378766
• Molecular Formula: C25H25ClF3N7O2
• Molecular Weight: 547.97 g/mol
• Exact Mass: 547.17
• IUPAC Name: 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
• SMILES: COCc1cc(C(F)(F)F)nn1-c1ccc(CN2C(=O)CCn3nc(-c4c(Cl)cnn4C(C)C)cc32)cc1
• InChI: InChI=1S/C25H25ClF3N7O2/c1-15(2)35-24(19(26)12-30-35)20-11-22-33(23(37)8-9-34(22)31-20)13-16-4-6-17(7-5-16)36-18(14-38-3)10-21(32-36)25(27,28)29/h4-7,10-12,15H,8-9,13-14H2,1-3H3
• InChIKey: ALFDCQKERGRREZ-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 83.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.97
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-[[4-[5-(methoxymethyl)-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-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (CID 162378766) is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[5-(methoxymethyl)-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-(methoxymethyl)-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-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is COCc1cc(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-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?

The InChIKey is ALFDCQKERGRREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClF3N7O2/c1-15(2)35-24(19(26)12-30-35)20-11-22-33(23(37)8-9-34(22)31-20)13-16-4-6-17(7-5-16)36-18(14-38-3)10-21(32-36)25(27,28)29/h4-7,10-12,15H,8-9,13-14H2,1-3H3.

What are the key properties of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[5-(methoxymethyl)-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-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 547.97 g/mol, XLogP of 5.27, 7 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-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 162378766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).