1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3-propoxypropan-1-amine

C14H26BrN3O — CID 105183470

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)c1c(Br)cnn1CCC
InChIInChI=1S/C14H26BrN3O/c1-4-8-18-14(12(15)11-17-18)13(16-6-3)7-10-19-9-5-2/h11,13,16H,4-10H2,1-3H3
InChIKeyWORAUQFPTPGAIK-UHFFFAOYSA-N
MW332.29 g/mol
LogP3.52
Rot. Bonds10

About 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3-propoxypropan-1-amine

1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3-propoxypropan-1-amine (PubChem CID 105183470) has the molecular formula C14H26BrN3O and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3-propoxypropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3-propoxypropan-1-amine
PubChem CID105183470
Molecular FormulaC14H26BrN3O
Molecular Weight332.29 g/mol
Exact Mass331.13
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)c1c(Br)cnn1CCC
InChIInChI=1S/C14H26BrN3O/c1-4-8-18-14(12(15)11-17-18)13(16-6-3)7-10-19-9-5-2/h11,13,16H,4-10H2,1-3H3
InChIKeyWORAUQFPTPGAIK-UHFFFAOYSA-N
XLogP3.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 53.52
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-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105183576
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648482
1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanyl-N-ethylethanamine
CID 114653804
1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 114648750
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 114647437
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 114647467
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine
CID 114649130
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propylpyrazol-5-yl)-N-ethylethanamine
CID 105041464
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 114657423
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-3-methylpentan-1-amine
CID 105042954
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine
CID 114657465
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547194

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3-propoxypropan-1-amine?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3-propoxypropan-1-amine (CID 105183470) is 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3-propoxypropan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3-propoxypropan-1-amine?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3-propoxypropan-1-amine is CCCOCCC(NCC)c1c(Br)cnn1CCC.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3-propoxypropan-1-amine?
The InChIKey is WORAUQFPTPGAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrN3O/c1-4-8-18-14(12(15)11-17-18)13(16-6-3)7-10-19-9-5-2/h11,13,16H,4-10H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3-propoxypropan-1-amine?
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3-propoxypropan-1-amine has a molecular weight of 332.29 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3-propoxypropan-1-amine is sourced from PubChem (CID 105183470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).