2-methyl-2-(methylamino)-4-pyrazol-1-ylpentanoic acid

C10H17N3O2 — CID 64704049

IUPAC2-methyl-2-(methylamino)-4-pyrazol-1-ylpentanoic acid
SMILESCNC(C)(CC(C)n1cccn1)C(=O)O
InChIInChI=1S/C10H17N3O2/c1-8(13-6-4-5-12-13)7-10(2,11-3)9(14)15/h4-6,8,11H,7H2,1-3H3,(H,14,15)
InChIKeyDNQNCYFMRWABAB-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.90
Rot. Bonds5

About 2-methyl-2-(methylamino)-4-pyrazol-1-ylpentanoic acid

2-methyl-2-(methylamino)-4-pyrazol-1-ylpentanoic acid (PubChem CID 64704049) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-pyrazol-1-ylpentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-pyrazol-1-ylpentanoic acid
PubChem CID64704049
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-methyl-2-(methylamino)-4-pyrazol-1-ylpentanoic acid
SMILESCNC(C)(CC(C)n1cccn1)C(=O)O
InChIInChI=1S/C10H17N3O2/c1-8(13-6-4-5-12-13)7-10(2,11-3)9(14)15/h4-6,8,11H,7H2,1-3H3,(H,14,15)
InChIKeyDNQNCYFMRWABAB-UHFFFAOYSA-N
XLogP0.90
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-pyrazol-1-ylpentanoic acid?
The IUPAC name of 2-methyl-2-(methylamino)-4-pyrazol-1-ylpentanoic acid (CID 64704049) is 2-methyl-2-(methylamino)-4-pyrazol-1-ylpentanoic acid.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-pyrazol-1-ylpentanoic acid?
The canonical SMILES for 2-methyl-2-(methylamino)-4-pyrazol-1-ylpentanoic acid is CNC(C)(CC(C)n1cccn1)C(=O)O.
What is the InChIKey of 2-methyl-2-(methylamino)-4-pyrazol-1-ylpentanoic acid?
The InChIKey is DNQNCYFMRWABAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(13-6-4-5-12-13)7-10(2,11-3)9(14)15/h4-6,8,11H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-2-(methylamino)-4-pyrazol-1-ylpentanoic acid?
2-methyl-2-(methylamino)-4-pyrazol-1-ylpentanoic acid has a molecular weight of 211.26 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-pyrazol-1-ylpentanoic acid is sourced from PubChem (CID 64704049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).