5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol

C11H19N3O — CID 107302920

IUPAC5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol
SMILESC=Cn1cc(CNCCCCCO)cn1
InChIInChI=1S/C11H19N3O/c1-2-14-10-11(9-13-14)8-12-6-4-3-5-7-15/h2,9-10,12,15H,1,3-8H2
InChIKeyWRKGTASGXFENPZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.24
Rot. Bonds8

About 5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol

5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol (PubChem CID 107302920) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol
PubChem CID107302920
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol
SMILESC=Cn1cc(CNCCCCCO)cn1
InChIInChI=1S/C11H19N3O/c1-2-14-10-11(9-13-14)8-12-6-4-3-5-7-15/h2,9-10,12,15H,1,3-8H2
InChIKeyWRKGTASGXFENPZ-UHFFFAOYSA-N
XLogP1.24
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.24
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-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine
CID 107094675
4-[(1-ethenylpyrazol-4-yl)methylamino]butanoic acid
CID 106936422
N-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 106937156
N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine
CID 106937175
4-[(1-methylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride
CID 126966638
6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol
CID 103924056
3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine
CID 107094620
N-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 106935533
N-[(1-ethenylpyrazol-4-yl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine
CID 106937408
N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106935175
2-but-3-enoxy-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 107094823
N-[(1-ethenylpyrazol-4-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 106936815

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol?
The IUPAC name of 5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol (CID 107302920) is 5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol?
The canonical SMILES for 5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol is C=Cn1cc(CNCCCCCO)cn1.
What is the InChIKey of 5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol?
The InChIKey is WRKGTASGXFENPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-14-10-11(9-13-14)8-12-6-4-3-5-7-15/h2,9-10,12,15H,1,3-8H2.
What are the key properties of 5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol?
5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 107302920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).