6-(5-aminopyrazol-1-yl)hexanoic acid

C9H15N3O2 — CID 67377797

IUPAC6-(5-aminopyrazol-1-yl)hexanoic acid
SMILESNc1ccnn1CCCCCC(=O)O
InChIInChI=1S/C9H15N3O2/c10-8-5-6-11-12(8)7-3-1-2-4-9(13)14/h5-6H,1-4,7,10H2,(H,13,14)
InChIKeyZJZYQNWKHJPSAI-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.11
Rot. Bonds6

About 6-(5-aminopyrazol-1-yl)hexanoic acid

6-(5-aminopyrazol-1-yl)hexanoic acid (PubChem CID 67377797) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-(5-aminopyrazol-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-(5-aminopyrazol-1-yl)hexanoic acid
PubChem CID67377797
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name6-(5-aminopyrazol-1-yl)hexanoic acid
SMILESNc1ccnn1CCCCCC(=O)O
InChIInChI=1S/C9H15N3O2/c10-8-5-6-11-12(8)7-3-1-2-4-9(13)14/h5-6H,1-4,7,10H2,(H,13,14)
InChIKeyZJZYQNWKHJPSAI-UHFFFAOYSA-N
XLogP1.11
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(5-aminopyrazol-1-yl)hexanoic acid?
The IUPAC name of 6-(5-aminopyrazol-1-yl)hexanoic acid (CID 67377797) is 6-(5-aminopyrazol-1-yl)hexanoic acid.
What is the SMILES notation for 6-(5-aminopyrazol-1-yl)hexanoic acid?
The canonical SMILES for 6-(5-aminopyrazol-1-yl)hexanoic acid is Nc1ccnn1CCCCCC(=O)O.
What is the InChIKey of 6-(5-aminopyrazol-1-yl)hexanoic acid?
The InChIKey is ZJZYQNWKHJPSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-8-5-6-11-12(8)7-3-1-2-4-9(13)14/h5-6H,1-4,7,10H2,(H,13,14).
What are the key properties of 6-(5-aminopyrazol-1-yl)hexanoic acid?
6-(5-aminopyrazol-1-yl)hexanoic acid has a molecular weight of 197.24 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-aminopyrazol-1-yl)hexanoic acid is sourced from PubChem (CID 67377797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).