6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol

C12H23N3O — CID 107703692

IUPAC6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol
SMILESCn1nccc1CCNCCCCCCO
InChIInChI=1S/C12H23N3O/c1-15-12(7-10-14-15)6-9-13-8-4-2-3-5-11-16/h7,10,13,16H,2-6,8-9,11H2,1H3
InChIKeyXBEWKEGETBIZON-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.10
Rot. Bonds9

About 6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol

6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol (PubChem CID 107703692) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol
PubChem CID107703692
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol
SMILESCn1nccc1CCNCCCCCCO
InChIInChI=1S/C12H23N3O/c1-15-12(7-10-14-15)6-9-13-8-4-2-3-5-11-16/h7,10,13,16H,2-6,8-9,11H2,1H3
InChIKeyXBEWKEGETBIZON-UHFFFAOYSA-N
XLogP1.10
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.10
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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Related Compounds

4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 103005787
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106844750
N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine
CID 103000722
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]ethanol
CID 103001295
2-(2-methylpyrazol-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 103002048
5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 107316767
N-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide
CID 103001655
3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
CID 103001512
2-(1-methylpyrazol-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 114143932
6-(2-methylpyrazol-3-yl)hexane-1,4-diol
CID 106677975
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106047111
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103006076

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol?
The IUPAC name of 6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol (CID 107703692) is 6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol.
What is the SMILES notation for 6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol?
The canonical SMILES for 6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol is Cn1nccc1CCNCCCCCCO.
What is the InChIKey of 6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol?
The InChIKey is XBEWKEGETBIZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-15-12(7-10-14-15)6-9-13-8-4-2-3-5-11-16/h7,10,13,16H,2-6,8-9,11H2,1H3.
What are the key properties of 6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol?
6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol is sourced from PubChem (CID 107703692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).