N-(2-methoxyethyl)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine

C13H25N3O — CID 62567391

IUPACN-(2-methoxyethyl)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
SMILESCOCCNCCCCn1nc(C)c(C)c1C
InChIInChI=1S/C13H25N3O/c1-11-12(2)15-16(13(11)3)9-6-5-7-14-8-10-17-4/h14H,5-10H2,1-4H3
InChIKeyDFKZEUALTMBFAJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.82
Rot. Bonds8

About N-(2-methoxyethyl)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine

N-(2-methoxyethyl)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine (PubChem CID 62567391) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
PubChem CID62567391
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(2-methoxyethyl)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
SMILESCOCCNCCCCn1nc(C)c(C)c1C
InChIInChI=1S/C13H25N3O/c1-11-12(2)15-16(13(11)3)9-6-5-7-14-8-10-17-4/h14H,5-10H2,1-4H3
InChIKeyDFKZEUALTMBFAJ-UHFFFAOYSA-N
XLogP1.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.82
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-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62565277
N-methyl-5-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine
CID 62441748
N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 62732261
4-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-methylbutanamide
CID 66400695
3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butan-1-amine
CID 62565900
3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine
CID 114526188
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716759
N-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 103413495
4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole
CID 79785419
2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 110716730
N-[[1-(3-imidazol-1-ylpropyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66402467

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine (CID 62567391) is N-(2-methoxyethyl)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine is COCCNCCCCn1nc(C)c(C)c1C.
What is the InChIKey of N-(2-methoxyethyl)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine?
The InChIKey is DFKZEUALTMBFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11-12(2)15-16(13(11)3)9-6-5-7-14-8-10-17-4/h14H,5-10H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine?
N-(2-methoxyethyl)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine is sourced from PubChem (CID 62567391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).