1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid

C15H17N7O2 — CID 70215490

About 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid

1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid (PubChem CID 70215490) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid
• PubChem CID: 70215490
• Molecular Formula: C15H17N7O2
• Molecular Weight: 327.35 g/mol
• Exact Mass: 327.14
• IUPAC Name: 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid
• SMILES: Cn1cc(-c2cnn3c(N)cc(N4CCC(C(=O)O)C4)nc23)cn1
• InChI: InChI=1S/C15H17N7O2/c1-20-7-10(5-17-20)11-6-18-22-12(16)4-13(19-14(11)22)21-3-2-9(8-21)15(23)24/h4-7,9H,2-3,8,16H2,1H3,(H,23,24)
• InChIKey: FBADDGNYYCWENP-UHFFFAOYSA-N
• XLogP: 0.62
• TPSA: 114.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.35
LogP ≤ 5	0.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid?

The IUPAC name of 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid (CID 70215490) is 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid.

What is the SMILES notation for 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid?

The canonical SMILES for 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid is Cn1cc(-c2cnn3c(N)cc(N4CCC(C(=O)O)C4)nc23)cn1.

What is the InChIKey of 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid?

The InChIKey is FBADDGNYYCWENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c1-20-7-10(5-17-20)11-6-18-22-12(16)4-13(19-14(11)22)21-3-2-9(8-21)15(23)24/h4-7,9H,2-3,8,16H2,1H3,(H,23,24).

What are the key properties of 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid?

1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 327.35 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 70215490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).