2-[3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid

C15H16N6O3 — CID 119230516

About 2-[3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid

2-[3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 119230516) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-[3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
• PubChem CID: 119230516
• Molecular Formula: C15H16N6O3
• Molecular Weight: 328.33 g/mol
• Exact Mass: 328.13
• IUPAC Name: 2-[3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
• SMILES: Cc1cc(C)n2nc(C)c(C(=O)Nc3ccn(CC(=O)O)n3)c2n1
• InChI: InChI=1S/C15H16N6O3/c1-8-6-9(2)21-14(16-8)13(10(3)18-21)15(24)17-11-4-5-20(19-11)7-12(22)23/h4-6H,7H2,1-3H3,(H,22,23)(H,17,19,24)
• InChIKey: UNEQZIBIEKRHSH-UHFFFAOYSA-N
• XLogP: 1.19
• TPSA: 114.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.33
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?

The IUPAC name of 2-[3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 119230516) is 2-[3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid.

What is the SMILES notation for 2-[3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?

The canonical SMILES for 2-[3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid is Cc1cc(C)n2nc(C)c(C(=O)Nc3ccn(CC(=O)O)n3)c2n1.

What is the InChIKey of 2-[3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?

The InChIKey is UNEQZIBIEKRHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-8-6-9(2)21-14(16-8)13(10(3)18-21)15(24)17-11-4-5-20(19-11)7-12(22)23/h4-6H,7H2,1-3H3,(H,22,23)(H,17,19,24).

What are the key properties of 2-[3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?

2-[3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 328.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119230516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).