N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine

C13H25N3O — CID 103893940

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine
SMILESCCc1nn(C)cc1CNCCCCCOC
InChIInChI=1S/C13H25N3O/c1-4-13-12(11-16(2)15-13)10-14-8-6-5-7-9-17-3/h11,14H,4-10H2,1-3H3
InChIKeyQBHHYXOMIILYRO-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.89
Rot. Bonds9

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine (PubChem CID 103893940) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine
PubChem CID103893940
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine
SMILESCCc1nn(C)cc1CNCCCCCOC
InChIInChI=1S/C13H25N3O/c1-4-13-12(11-16(2)15-13)10-14-8-6-5-7-9-17-3/h11,14H,4-10H2,1-3H3
InChIKeyQBHHYXOMIILYRO-UHFFFAOYSA-N
XLogP1.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.89
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

1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(3-methoxypropyl)thiourea
CID 115886828
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 112549263
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-1-amine
CID 115885749
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 102810436
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 112549208
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 102810428
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-phenoxyethanamine
CID 112549164
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 112549222
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 113347469
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 102810418
2-but-3-enoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 103894055

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine (CID 103893940) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine is CCc1nn(C)cc1CNCCCCCOC.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine?
The InChIKey is QBHHYXOMIILYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-13-12(11-16(2)15-13)10-14-8-6-5-7-9-17-3/h11,14H,4-10H2,1-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine has a molecular weight of 239.36 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-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine is sourced from PubChem (CID 103893940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).