(3S)-3-(4-chlorophenyl)-3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid

C19H24ClN3O3 — CID 120531564

About (3S)-3-(4-chlorophenyl)-3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid

(3S)-3-(4-chlorophenyl)-3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid (PubChem CID 120531564) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)-3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

• Compound Name: (3S)-3-(4-chlorophenyl)-3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid
• PubChem CID: 120531564
• Molecular Formula: C19H24ClN3O3
• Molecular Weight: 377.87 g/mol
• Exact Mass: 377.15
• IUPAC Name: (3S)-3-(4-chlorophenyl)-3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid
• SMILES: CCC(CC)n1nc(C(=O)N[C@@H](CC(=O)O)c2ccc(Cl)cc2)cc1C
• InChI: InChI=1S/C19H24ClN3O3/c1-4-15(5-2)23-12(3)10-17(22-23)19(26)21-16(11-18(24)25)13-6-8-14(20)9-7-13/h6-10,15-16H,4-5,11H2,1-3H3,(H,21,26)(H,24,25)/t16-/m0/s1
• InChIKey: XEOAYWOPCRSFPG-INIZCTEOSA-N
• XLogP: 4.15
• TPSA: 84.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.87
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)-3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid?

The IUPAC name of (3S)-3-(4-chlorophenyl)-3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid (CID 120531564) is (3S)-3-(4-chlorophenyl)-3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid.

What is the SMILES notation for (3S)-3-(4-chlorophenyl)-3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid?

The canonical SMILES for (3S)-3-(4-chlorophenyl)-3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid is CCC(CC)n1nc(C(=O)N[C@@H](CC(=O)O)c2ccc(Cl)cc2)cc1C.

What is the InChIKey of (3S)-3-(4-chlorophenyl)-3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid?

The InChIKey is XEOAYWOPCRSFPG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-4-15(5-2)23-12(3)10-17(22-23)19(26)21-16(11-18(24)25)13-6-8-14(20)9-7-13/h6-10,15-16H,4-5,11H2,1-3H3,(H,21,26)(H,24,25)/t16-/m0/s1.

What are the key properties of (3S)-3-(4-chlorophenyl)-3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid?

(3S)-3-(4-chlorophenyl)-3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid has a molecular weight of 377.87 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-(4-chlorophenyl)-3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120531564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).