4-pyrazol-1-yl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylic acid

C16H20N4O2 — CID 175720901

About 4-pyrazol-1-yl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylic acid

4-pyrazol-1-yl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 175720901) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-pyrazol-1-yl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-pyrazol-1-yl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylic acid
• PubChem CID: 175720901
• Molecular Formula: C16H20N4O2
• Molecular Weight: 300.36 g/mol
• Exact Mass: 300.16
• IUPAC Name: 4-pyrazol-1-yl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylic acid
• SMILES: C[C@@H]1CN(c2nccc(-n3cccn3)c2C(=O)O)C(C)(C)C1
• InChI: InChI=1S/C16H20N4O2/c1-11-9-16(2,3)19(10-11)14-13(15(21)22)12(5-7-17-14)20-8-4-6-18-20/h4-8,11H,9-10H2,1-3H3,(H,21,22)/t11-/m0/s1
• InChIKey: MWABIVBLFILKFY-NSHDSACASA-N
• XLogP: 2.59
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.36
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylic acid?

The IUPAC name of 4-pyrazol-1-yl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylic acid (CID 175720901) is 4-pyrazol-1-yl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 4-pyrazol-1-yl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 4-pyrazol-1-yl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylic acid is C[C@@H]1CN(c2nccc(-n3cccn3)c2C(=O)O)C(C)(C)C1.

What is the InChIKey of 4-pyrazol-1-yl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylic acid?

The InChIKey is MWABIVBLFILKFY-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-9-16(2,3)19(10-11)14-13(15(21)22)12(5-7-17-14)20-8-4-6-18-20/h4-8,11H,9-10H2,1-3H3,(H,21,22)/t11-/m0/s1.

What are the key properties of 4-pyrazol-1-yl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylic acid?

4-pyrazol-1-yl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-pyrazol-1-yl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 175720901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).