N-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine

C14H27N3O — CID 82697711

IUPACN-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(CC)nn(CCCOC)c1CC
InChIInChI=1S/C14H27N3O/c1-5-13-12(11-15-7-3)14(6-2)17(16-13)9-8-10-18-4/h15H,5-11H2,1-4H3
InChIKeyFDMRDKGDWQGPQI-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.15
Rot. Bonds9

About N-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine

N-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 82697711) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID82697711
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(CC)nn(CCCOC)c1CC
InChIInChI=1S/C14H27N3O/c1-5-13-12(11-15-7-3)14(6-2)17(16-13)9-8-10-18-4/h15H,5-11H2,1-4H3
InChIKeyFDMRDKGDWQGPQI-UHFFFAOYSA-N
XLogP2.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.15
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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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine (CID 82697711) is N-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine is CCNCc1c(CC)nn(CCCOC)c1CC.
What is the InChIKey of N-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is FDMRDKGDWQGPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-13-12(11-15-7-3)14(6-2)17(16-13)9-8-10-18-4/h15H,5-11H2,1-4H3.
What are the key properties of N-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine?
N-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 253.39 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 82697711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).