(3S)-1-[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid

C20H22FN3O3 — CID 122107151

About (3S)-1-[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid

(3S)-1-[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid (PubChem CID 122107151) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is (3S)-1-[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: (3S)-1-[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid
• PubChem CID: 122107151
• Molecular Formula: C20H22FN3O3
• Molecular Weight: 371.41 g/mol
• Exact Mass: 371.16
• IUPAC Name: (3S)-1-[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid
• SMILES: Cc1cccc(F)c1-n1nc(C(=O)N2CCC[C@H](C(=O)O)C2)c2c1CCC2
• InChI: InChI=1S/C20H22FN3O3/c1-12-5-2-8-15(21)18(12)24-16-9-3-7-14(16)17(22-24)19(25)23-10-4-6-13(11-23)20(26)27/h2,5,8,13H,3-4,6-7,9-11H2,1H3,(H,26,27)/t13-/m0/s1
• InChIKey: QZAJVHKPAZQELL-ZDUSSCGKSA-N
• XLogP: 2.75
• TPSA: 75.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.41
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid?

The IUPAC name of (3S)-1-[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid (CID 122107151) is (3S)-1-[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid.

What is the SMILES notation for (3S)-1-[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid?

The canonical SMILES for (3S)-1-[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid is Cc1cccc(F)c1-n1nc(C(=O)N2CCC[C@H](C(=O)O)C2)c2c1CCC2.

What is the InChIKey of (3S)-1-[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid?

The InChIKey is QZAJVHKPAZQELL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-12-5-2-8-15(21)18(12)24-16-9-3-7-14(16)17(22-24)19(25)23-10-4-6-13(11-23)20(26)27/h2,5,8,13H,3-4,6-7,9-11H2,1H3,(H,26,27)/t13-/m0/s1.

What are the key properties of (3S)-1-[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid?

(3S)-1-[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 371.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122107151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).