5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[4-(5-methylthiophen-3-yl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine

C24H20F2N6S — CID 170223732

About 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[4-(5-methylthiophen-3-yl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[4-(5-methylthiophen-3-yl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 170223732) has the molecular formula C24H20F2N6S and a molecular weight of 462.53 g/mol. Its IUPAC name is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[4-(5-methylthiophen-3-yl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[4-(5-methylthiophen-3-yl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine
• PubChem CID: 170223732
• Molecular Formula: C24H20F2N6S
• Molecular Weight: 462.53 g/mol
• Exact Mass: 462.14
• IUPAC Name: 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[4-(5-methylthiophen-3-yl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine
• SMILES: Cc1cc(-c2cnn(-c3cnn4ccc(N5CCCC5c5cc(F)ccc5F)nc34)c2)cs1
• InChI: InChI=1S/C24H20F2N6S/c1-15-9-16(14-33-15)17-11-27-32(13-17)22-12-28-31-8-6-23(29-24(22)31)30-7-2-3-21(30)19-10-18(25)4-5-20(19)26/h4-6,8-14,21H,2-3,7H2,1H3
• InChIKey: FPVAADNRHTZPSH-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 51.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.53
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[4-(5-methylthiophen-3-yl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine?

The IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[4-(5-methylthiophen-3-yl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine (CID 170223732) is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[4-(5-methylthiophen-3-yl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine.

What is the SMILES notation for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[4-(5-methylthiophen-3-yl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine?

The canonical SMILES for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[4-(5-methylthiophen-3-yl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine is Cc1cc(-c2cnn(-c3cnn4ccc(N5CCCC5c5cc(F)ccc5F)nc34)c2)cs1.

What is the InChIKey of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[4-(5-methylthiophen-3-yl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine?

The InChIKey is FPVAADNRHTZPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6S/c1-15-9-16(14-33-15)17-11-27-32(13-17)22-12-28-31-8-6-23(29-24(22)31)30-7-2-3-21(30)19-10-18(25)4-5-20(19)26/h4-6,8-14,21H,2-3,7H2,1H3.

What are the key properties of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[4-(5-methylthiophen-3-yl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine?

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[4-(5-methylthiophen-3-yl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 462.53 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[4-(5-methylthiophen-3-yl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 170223732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).