5-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C20H21N5O3 — CID 56703951

About 5-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

5-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56703951) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
• PubChem CID: 56703951
• Molecular Formula: C20H21N5O3
• Molecular Weight: 379.42 g/mol
• Exact Mass: 379.16
• IUPAC Name: 5-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
• SMILES: Cc1cc(C)n(-c2ccc(C(=O)N3CCc4c(c(C(=O)O)nn4C)C3)cc2)n1
• InChI: InChI=1S/C20H21N5O3/c1-12-10-13(2)25(21-12)15-6-4-14(5-7-15)19(26)24-9-8-17-16(11-24)18(20(27)28)22-23(17)3/h4-7,10H,8-9,11H2,1-3H3,(H,27,28)
• InChIKey: LJBVDBBZXSRAKB-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 93.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.42
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?

The IUPAC name of 5-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56703951) is 5-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?

The canonical SMILES for 5-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is Cc1cc(C)n(-c2ccc(C(=O)N3CCc4c(c(C(=O)O)nn4C)C3)cc2)n1.

What is the InChIKey of 5-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?

The InChIKey is LJBVDBBZXSRAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-12-10-13(2)25(21-12)15-6-4-14(5-7-15)19(26)24-9-8-17-16(11-24)18(20(27)28)22-23(17)3/h4-7,10H,8-9,11H2,1-3H3,(H,27,28).

What are the key properties of 5-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?

5-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 379.42 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56703951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).