2-amino-5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpentanoic acid

C11H18BrN3O2 — CID 62128600

IUPAC2-amino-5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpentanoic acid
SMILESCc1nn(CCCC(C)(N)C(=O)O)c(C)c1Br
InChIInChI=1S/C11H18BrN3O2/c1-7-9(12)8(2)15(14-7)6-4-5-11(3,13)10(16)17/h4-6,13H2,1-3H3,(H,16,17)
InChIKeyUIAOUGUKPMTEEG-UHFFFAOYSA-N
MW304.19 g/mol
LogP1.84
Rot. Bonds5

About 2-amino-5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpentanoic acid

2-amino-5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpentanoic acid (PubChem CID 62128600) has the molecular formula C11H18BrN3O2 and a molecular weight of 304.19 g/mol. Its IUPAC name is 2-amino-5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-amino-5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpentanoic acid
PubChem CID62128600
Molecular FormulaC11H18BrN3O2
Molecular Weight304.19 g/mol
Exact Mass303.06
IUPAC Name2-amino-5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpentanoic acid
SMILESCc1nn(CCCC(C)(N)C(=O)O)c(C)c1Br
InChIInChI=1S/C11H18BrN3O2/c1-7-9(12)8(2)15(14-7)6-4-5-11(3,13)10(16)17/h4-6,13H2,1-3H3,(H,16,17)
InChIKeyUIAOUGUKPMTEEG-UHFFFAOYSA-N
XLogP1.84
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpentanoic acid?
The IUPAC name of 2-amino-5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpentanoic acid (CID 62128600) is 2-amino-5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpentanoic acid.
What is the SMILES notation for 2-amino-5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpentanoic acid?
The canonical SMILES for 2-amino-5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpentanoic acid is Cc1nn(CCCC(C)(N)C(=O)O)c(C)c1Br.
What is the InChIKey of 2-amino-5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpentanoic acid?
The InChIKey is UIAOUGUKPMTEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O2/c1-7-9(12)8(2)15(14-7)6-4-5-11(3,13)10(16)17/h4-6,13H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpentanoic acid?
2-amino-5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpentanoic acid has a molecular weight of 304.19 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpentanoic acid is sourced from PubChem (CID 62128600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).