N-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine

C12H21N3O — CID 107094675

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine
SMILESC=Cn1cc(CNCCCCCOC)cn1
InChIInChI=1S/C12H21N3O/c1-3-15-11-12(10-14-15)9-13-7-5-4-6-8-16-2/h3,10-11,13H,1,4-9H2,2H3
InChIKeyRRPLZBRCRWTCSS-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.89
Rot. Bonds9

About N-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine

N-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine (PubChem CID 107094675) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine
PubChem CID107094675
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine
SMILESC=Cn1cc(CNCCCCCOC)cn1
InChIInChI=1S/C12H21N3O/c1-3-15-11-12(10-14-15)9-13-7-5-4-6-8-16-2/h3,10-11,13H,1,4-9H2,2H3
InChIKeyRRPLZBRCRWTCSS-UHFFFAOYSA-N
XLogP1.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107302920
N-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 106937156
2-but-3-enoxy-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 107094823
4-[(1-ethenylpyrazol-4-yl)methylamino]butanoic acid
CID 106936422
3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine
CID 107094620
N-[(1-ethenylpyrazol-4-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 106936815
N-[(1-ethenylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 106936577
3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126966218
N-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 106935533
N-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine
CID 107006664
3-methoxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propan-1-amine;hydrochloride
CID 126966892
N-[(1-ethenylpyrazol-4-yl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine
CID 106937408

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine (CID 107094675) is N-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine is C=Cn1cc(CNCCCCCOC)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine?
The InChIKey is RRPLZBRCRWTCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-15-11-12(10-14-15)9-13-7-5-4-6-8-16-2/h3,10-11,13H,1,4-9H2,2H3.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine?
N-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine is sourced from PubChem (CID 107094675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).