N-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine

C17H33N3 — CID 82924251

IUPACN-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(CC)nn(CC(CC)CC)c1CC
InChIInChI=1S/C17H33N3/c1-6-11-18-12-15-16(9-4)19-20(17(15)10-5)13-14(7-2)8-3/h14,18H,6-13H2,1-5H3
InChIKeyWUYBPYKRCRYAPP-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.94
Rot. Bonds10

About N-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine

N-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 82924251) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine
PubChem CID82924251
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(CC)nn(CC(CC)CC)c1CC
InChIInChI=1S/C17H33N3/c1-6-11-18-12-15-16(9-4)19-20(17(15)10-5)13-14(7-2)8-3/h14,18H,6-13H2,1-5H3
InChIKeyWUYBPYKRCRYAPP-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
CID 107431118
N-[[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine
CID 82697464
N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
CID 82697542
N-[[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]methyl]propan-1-amine
CID 116617998
N-[[3,5-diethyl-1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 107053736
1-[3,5-diethyl-1-(2-methylbutyl)pyrazol-4-yl]-N-methylmethanamine
CID 82698238
[3,5-diethyl-1-(2-ethylhexyl)pyrazol-4-yl]methanol
CID 82697059
N-[[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 82700301
N-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 107431163
1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 82926182
2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethylethanamine
CID 79224910
N-[[3,5-diethyl-1-(2-methylpentyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 82700478

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine (CID 82924251) is N-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine is CCCNCc1c(CC)nn(CC(CC)CC)c1CC.
What is the InChIKey of N-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is WUYBPYKRCRYAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-6-11-18-12-15-16(9-4)19-20(17(15)10-5)13-14(7-2)8-3/h14,18H,6-13H2,1-5H3.
What are the key properties of N-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine?
N-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 82924251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).