(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid

C19H24FN3O3 — CID 164698609

About (3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid

(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid (PubChem CID 164698609) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is (3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid
• PubChem CID: 164698609
• Molecular Formula: C19H24FN3O3
• Molecular Weight: 361.42 g/mol
• Exact Mass: 361.18
• IUPAC Name: (3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid
• SMILES: Cc1n[nH]c(C)c1CN1CC[C@@H](O)[C@](Cc2cccc(F)c2)(C(=O)O)C1
• InChI: InChI=1S/C19H24FN3O3/c1-12-16(13(2)22-21-12)10-23-7-6-17(24)19(11-23,18(25)26)9-14-4-3-5-15(20)8-14/h3-5,8,17,24H,6-7,9-11H2,1-2H3,(H,21,22)(H,25,26)/t17-,19-/m1/s1
• InChIKey: OSQQMLOBAWUUSQ-IEBWSBKVSA-N
• XLogP: 2.05
• TPSA: 89.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.42
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid?

The IUPAC name of (3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid (CID 164698609) is (3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid.

What is the SMILES notation for (3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid?

The canonical SMILES for (3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid is Cc1n[nH]c(C)c1CN1CC[C@@H](O)[C@](Cc2cccc(F)c2)(C(=O)O)C1.

What is the InChIKey of (3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid?

The InChIKey is OSQQMLOBAWUUSQ-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-12-16(13(2)22-21-12)10-23-7-6-17(24)19(11-23,18(25)26)9-14-4-3-5-15(20)8-14/h3-5,8,17,24H,6-7,9-11H2,1-2H3,(H,21,22)(H,25,26)/t17-,19-/m1/s1.

What are the key properties of (3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid?

(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid has a molecular weight of 361.42 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid is sourced from PubChem (CID 164698609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).