6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol

C12H23N3O — CID 115768038

IUPAC6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol
SMILESCCC(O)CCCNCc1cnn(C)c1C
InChIInChI=1S/C12H23N3O/c1-4-12(16)6-5-7-13-8-11-9-14-15(3)10(11)2/h9,12-13,16H,4-8H2,1-3H3
InChIKeyVXOBPLGOABIJCP-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.37
Rot. Bonds7

About 6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol

6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol (PubChem CID 115768038) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol.

Molecular Properties

Compound Name6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol
PubChem CID115768038
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol
SMILESCCC(O)CCCNCc1cnn(C)c1C
InChIInChI=1S/C12H23N3O/c1-4-12(16)6-5-7-13-8-11-9-14-15(3)10(11)2/h9,12-13,16H,4-8H2,1-3H3
InChIKeyVXOBPLGOABIJCP-UHFFFAOYSA-N
XLogP1.37
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.37
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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine
CID 79578441
1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 114140218
N'-butan-2-yl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
CID 103851529
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
CID 109480929
3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 115767982
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine
CID 103851543
N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide
CID 79579132
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 106044829
2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 83110053
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide
CID 102675063
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103851304

Frequently Asked Questions

What is the IUPAC name of 6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol?
The IUPAC name of 6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol (CID 115768038) is 6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol.
What is the SMILES notation for 6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol?
The canonical SMILES for 6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol is CCC(O)CCCNCc1cnn(C)c1C.
What is the InChIKey of 6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol?
The InChIKey is VXOBPLGOABIJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-12(16)6-5-7-13-8-11-9-14-15(3)10(11)2/h9,12-13,16H,4-8H2,1-3H3.
What are the key properties of 6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol?
6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol has a molecular weight of 225.34 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol is sourced from PubChem (CID 115768038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).