4-methyl-2-[methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoic acid

C12H19N3O3 — CID 110835292

IUPAC4-methyl-2-[methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoic acid
SMILESCc1cc(C(=O)N(C)C(CC(C)C)C(=O)O)n[nH]1
InChIInChI=1S/C12H19N3O3/c1-7(2)5-10(12(17)18)15(4)11(16)9-6-8(3)13-14-9/h6-7,10H,5H2,1-4H3,(H,13,14)(H,17,18)
InChIKeyMZDQBDKPZQJKND-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.29
Rot. Bonds5

About 4-methyl-2-[methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoic acid

4-methyl-2-[methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoic acid (PubChem CID 110835292) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-methyl-2-[methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoic acid
PubChem CID110835292
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-methyl-2-[methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoic acid
SMILESCc1cc(C(=O)N(C)C(CC(C)C)C(=O)O)n[nH]1
InChIInChI=1S/C12H19N3O3/c1-7(2)5-10(12(17)18)15(4)11(16)9-6-8(3)13-14-9/h6-7,10H,5H2,1-4H3,(H,13,14)(H,17,18)
InChIKeyMZDQBDKPZQJKND-UHFFFAOYSA-N
XLogP1.29
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoic acid (CID 110835292) is 4-methyl-2-[methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoic acid is Cc1cc(C(=O)N(C)C(CC(C)C)C(=O)O)n[nH]1.
What is the InChIKey of 4-methyl-2-[methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoic acid?
The InChIKey is MZDQBDKPZQJKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7(2)5-10(12(17)18)15(4)11(16)9-6-8(3)13-14-9/h6-7,10H,5H2,1-4H3,(H,13,14)(H,17,18).
What are the key properties of 4-methyl-2-[methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoic acid?
4-methyl-2-[methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 110835292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).