2-(2-pyrazol-1-ylethylamino)hexanoic acid

C11H19N3O2 — CID 103247140

IUPAC2-(2-pyrazol-1-ylethylamino)hexanoic acid
SMILESCCCCC(NCCn1cccn1)C(=O)O
InChIInChI=1S/C11H19N3O2/c1-2-3-5-10(11(15)16)12-7-9-14-8-4-6-13-14/h4,6,8,10,12H,2-3,5,7,9H2,1H3,(H,15,16)
InChIKeyQTWUEQBYKBXGTA-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.12
Rot. Bonds8

About 2-(2-pyrazol-1-ylethylamino)hexanoic acid

2-(2-pyrazol-1-ylethylamino)hexanoic acid (PubChem CID 103247140) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2-pyrazol-1-ylethylamino)hexanoic acid.

Molecular Properties

Compound Name2-(2-pyrazol-1-ylethylamino)hexanoic acid
PubChem CID103247140
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(2-pyrazol-1-ylethylamino)hexanoic acid
SMILESCCCCC(NCCn1cccn1)C(=O)O
InChIInChI=1S/C11H19N3O2/c1-2-3-5-10(11(15)16)12-7-9-14-8-4-6-13-14/h4,6,8,10,12H,2-3,5,7,9H2,1H3,(H,15,16)
InChIKeyQTWUEQBYKBXGTA-UHFFFAOYSA-N
XLogP1.12
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid
CID 93057045
N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide
CID 54951591
2-(propylamino)-4-pyrazol-1-ylbutanamide
CID 63039561
N-(2-pyrazol-1-ylethyl)heptan-4-amine
CID 61460010
2-(dodecylamino)hexanoic acid
CID 139637216
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid
CID 103263175
2-(2-thiomorpholin-4-ylethylamino)hexanoic acid
CID 106326003
2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid
CID 65285915
2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid
CID 103258017
2-(propylamino)tetradecanoic acid
CID 54527307
2-(pentylamino)octanoic acid
CID 129188286

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrazol-1-ylethylamino)hexanoic acid?
The IUPAC name of 2-(2-pyrazol-1-ylethylamino)hexanoic acid (CID 103247140) is 2-(2-pyrazol-1-ylethylamino)hexanoic acid.
What is the SMILES notation for 2-(2-pyrazol-1-ylethylamino)hexanoic acid?
The canonical SMILES for 2-(2-pyrazol-1-ylethylamino)hexanoic acid is CCCCC(NCCn1cccn1)C(=O)O.
What is the InChIKey of 2-(2-pyrazol-1-ylethylamino)hexanoic acid?
The InChIKey is QTWUEQBYKBXGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-3-5-10(11(15)16)12-7-9-14-8-4-6-13-14/h4,6,8,10,12H,2-3,5,7,9H2,1H3,(H,15,16).
What are the key properties of 2-(2-pyrazol-1-ylethylamino)hexanoic acid?
2-(2-pyrazol-1-ylethylamino)hexanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrazol-1-ylethylamino)hexanoic acid is sourced from PubChem (CID 103247140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).