(2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid

C₁₂H₁₉N₃O₃ — CID 110835300

About (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid

(2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 110835300) has the molecular formula C₁₂H₁₉N₃O₃ and a molecular weight of 253.30 g/mol. Its IUPAC name is (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

• Compound Name: (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid
• PubChem CID: 110835300
• Molecular Formula: C₁₂H₁₉N₃O₃
• Molecular Weight: 253.30 g/mol
• Exact Mass: 253.14
• IUPAC Name: (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid
• SMILES: Cc1[nH]nc(C(=O)N[C@H](CC(C)C)C(=O)O)c1C
• InChI: InChI=1S/C12H19N3O3/c1-6(2)5-9(12(17)18)13-11(16)10-7(3)8(4)14-15-10/h6,9H,5H2,1-4H3,(H,13,16)(H,14,15)(H,17,18)/t9-/m1/s1
• InChIKey: JGZOZYTYJXRBRQ-SECBINFHSA-N
• XLogP: 1.26
• TPSA: 95.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	253.30
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid?

The IUPAC name of (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid (CID 110835300) is (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid.

What is the SMILES notation for (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid?

The canonical SMILES for (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid is Cc1[nH]nc(C(=O)N[C@H](CC(C)C)C(=O)O)c1C.

What is the InChIKey of (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid?

The InChIKey is JGZOZYTYJXRBRQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-6(2)5-9(12(17)18)13-11(16)10-7(3)8(4)14-15-10/h6,9H,5H2,1-4H3,(H,13,16)(H,14,15)(H,17,18)/t9-/m1/s1.

What are the key properties of (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid?

(2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 110835300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 110835300 — identifiers, structure, computed properties (public domain)

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