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

C17H15F2N5O2 — CID 146257068

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

2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-c]pyrimidine-3-carboxylic acid (PubChem CID 146257068) has the molecular formula C17H15F2N5O2 and a molecular weight of 359.34 g/mol. Its IUPAC name is 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-c]pyrimidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-c]pyrimidine-3-carboxylic acid
• PubChem CID: 146257068
• Molecular Formula: C17H15F2N5O2
• Molecular Weight: 359.34 g/mol
• Exact Mass: 359.12
• IUPAC Name: 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-c]pyrimidine-3-carboxylic acid
• SMILES: Nc1nn2cnc(N3CCCC3c3cc(F)ccc3F)cc2c1C(=O)O
• InChI: InChI=1S/C17H15F2N5O2/c18-9-3-4-11(19)10(6-9)12-2-1-5-23(12)14-7-13-15(17(25)26)16(20)22-24(13)8-21-14/h3-4,6-8,12H,1-2,5H2,(H2,20,22)(H,25,26)
• InChIKey: YOKWUMAFBOZCOU-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 96.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.34
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-c]pyrimidine-3-carboxylic acid (CID 146257068) is 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-c]pyrimidine-3-carboxylic acid.

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

The canonical SMILES for 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-c]pyrimidine-3-carboxylic acid is Nc1nn2cnc(N3CCCC3c3cc(F)ccc3F)cc2c1C(=O)O.

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

The InChIKey is YOKWUMAFBOZCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O2/c18-9-3-4-11(19)10(6-9)12-2-1-5-23(12)14-7-13-15(17(25)26)16(20)22-24(13)8-21-14/h3-4,6-8,12H,1-2,5H2,(H2,20,22)(H,25,26).

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

2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-c]pyrimidine-3-carboxylic acid has a molecular weight of 359.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-c]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 146257068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).