2-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid

C13H14N4O3 — CID 175092393

About 2-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid

2-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid (PubChem CID 175092393) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
• PubChem CID: 175092393
• Molecular Formula: C13H14N4O3
• Molecular Weight: 274.28 g/mol
• Exact Mass: 274.11
• IUPAC Name: 2-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
• SMILES: COc1ccc(Cn2cc3c(n2)CN(C(=O)O)C3)cn1
• InChI: InChI=1S/C13H14N4O3/c1-20-12-3-2-9(4-14-12)5-17-7-10-6-16(13(18)19)8-11(10)15-17/h2-4,7H,5-6,8H2,1H3,(H,18,19)
• InChIKey: YZYGFLRDNOTVGP-UHFFFAOYSA-N
• XLogP: 1.33
• TPSA: 80.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.28
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?

The IUPAC name of 2-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid (CID 175092393) is 2-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid.

What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?

The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid is COc1ccc(Cn2cc3c(n2)CN(C(=O)O)C3)cn1.

What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?

The InChIKey is YZYGFLRDNOTVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-20-12-3-2-9(4-14-12)5-17-7-10-6-16(13(18)19)8-11(10)15-17/h2-4,7H,5-6,8H2,1H3,(H,18,19).

What are the key properties of 2-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?

2-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 175092393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).