N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine

C15H29N3O — CID 62732261

IUPACN-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
SMILESCCCCCCn1nc(C)c(CNCCOC)c1C
InChIInChI=1S/C15H29N3O/c1-5-6-7-8-10-18-14(3)15(13(2)17-18)12-16-9-11-19-4/h16H,5-12H2,1-4H3
InChIKeyAULPOZCCMYPRLK-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.82
Rot. Bonds10

About N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine

N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine (PubChem CID 62732261) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
PubChem CID62732261
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
SMILESCCCCCCn1nc(C)c(CNCCOC)c1C
InChIInChI=1S/C15H29N3O/c1-5-6-7-8-10-18-14(3)15(13(2)17-18)12-16-9-11-19-4/h16H,5-12H2,1-4H3
InChIKeyAULPOZCCMYPRLK-UHFFFAOYSA-N
XLogP2.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine
CID 114526188
4-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-methylbutanamide
CID 66400695
N-[[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 106717707
N-[[1-(3-imidazol-1-ylpropyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66402467
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 66401288
N-[[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 61483888
2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol
CID 110905500
N-(2-methoxyethyl)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
CID 62567391
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]octan-1-amine
CID 78911426
propan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 66401684
N-[[3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methyl]propan-1-amine
CID 61491806
N-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 103413495

Frequently Asked Questions

What is the IUPAC name of N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine (CID 62732261) is N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine is CCCCCCn1nc(C)c(CNCCOC)c1C.
What is the InChIKey of N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The InChIKey is AULPOZCCMYPRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-6-7-8-10-18-14(3)15(13(2)17-18)12-16-9-11-19-4/h16H,5-12H2,1-4H3.
What are the key properties of N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine?
N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine has a molecular weight of 267.42 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 62732261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).