1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine

C11H20BrN3O3 — CID 114032989

IUPAC1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCC(N)c1c(Br)cnn1CCOC
InChIInChI=1S/C11H20BrN3O3/c1-16-4-3-15-11(9(12)7-14-15)10(13)8-18-6-5-17-2/h7,10H,3-6,8,13H2,1-2H3
InChIKeyCCXDMZPRLPFCQA-UHFFFAOYSA-N
MW322.20 g/mol
LogP0.95
Rot. Bonds9

About 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine (PubChem CID 114032989) has the molecular formula C11H20BrN3O3 and a molecular weight of 322.20 g/mol. Its IUPAC name is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine.

Molecular Properties

Compound Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine
PubChem CID114032989
Molecular FormulaC11H20BrN3O3
Molecular Weight322.20 g/mol
Exact Mass321.07
IUPAC Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCC(N)c1c(Br)cnn1CCOC
InChIInChI=1S/C11H20BrN3O3/c1-16-4-3-15-11(9(12)7-14-15)10(13)8-18-6-5-17-2/h7,10H,3-6,8,13H2,1-2H3
InChIKeyCCXDMZPRLPFCQA-UHFFFAOYSA-N
XLogP0.95
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]but-3-en-1-amine
CID 114660808
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine
CID 105043060
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657527
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanamine
CID 114648281
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-pyridin-3-ylpropan-1-amine
CID 105184332
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,4-dichlorophenyl)ethanamine
CID 114646758
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dibromophenyl)methanamine
CID 107977548
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-propylpentan-1-amine
CID 105043059
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol
CID 114634365
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-4-methylphenyl)methanamine
CID 105042971
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenyl)sulfanylethanamine
CID 114656258
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol
CID 114637618

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine?
The IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine (CID 114032989) is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine?
The canonical SMILES for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine is COCCOCC(N)c1c(Br)cnn1CCOC.
What is the InChIKey of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine?
The InChIKey is CCXDMZPRLPFCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3O3/c1-16-4-3-15-11(9(12)7-14-15)10(13)8-18-6-5-17-2/h7,10H,3-6,8,13H2,1-2H3.
What are the key properties of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine?
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine has a molecular weight of 322.20 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 114032989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).