5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C18H17F2N5O2 — CID 139449703

About 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 139449703) has the molecular formula C18H17F2N5O2 and a molecular weight of 373.36 g/mol. Its IUPAC name is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• PubChem CID: 139449703
• Molecular Formula: C18H17F2N5O2
• Molecular Weight: 373.36 g/mol
• Exact Mass: 373.14
• IUPAC Name: 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• SMILES: CNc1nn2ccc(N3CCCC3c3cc(F)ccc3F)nc2c1C(=O)O
• InChI: InChI=1S/C18H17F2N5O2/c1-21-16-15(18(26)27)17-22-14(6-8-25(17)23-16)24-7-2-3-13(24)11-9-10(19)4-5-12(11)20/h4-6,8-9,13H,2-3,7H2,1H3,(H,21,23)(H,26,27)
• InChIKey: PFKKEUFZXUFTIJ-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 82.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.36
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 139449703) is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

What is the SMILES notation for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The canonical SMILES for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CNc1nn2ccc(N3CCCC3c3cc(F)ccc3F)nc2c1C(=O)O.

What is the InChIKey of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The InChIKey is PFKKEUFZXUFTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O2/c1-21-16-15(18(26)27)17-22-14(6-8-25(17)23-16)24-7-2-3-13(24)11-9-10(19)4-5-12(11)20/h4-6,8-9,13H,2-3,7H2,1H3,(H,21,23)(H,26,27).

What are the key properties of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 373.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 139449703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).