4-bromo-N-(2-methoxyethyl)-N,1-dimethylpyrazol-3-amine

C8H14BrN3O — CID 90289435

IUPAC4-bromo-N-(2-methoxyethyl)-N,1-dimethylpyrazol-3-amine
SMILESCOCCN(C)c1nn(C)cc1Br
InChIInChI=1S/C8H14BrN3O/c1-11(4-5-13-3)8-7(9)6-12(2)10-8/h6H,4-5H2,1-3H3
InChIKeyJVVJSFXDQKPDQX-UHFFFAOYSA-N
MW248.12 g/mol
LogP1.27
Rot. Bonds4

About 4-bromo-N-(2-methoxyethyl)-N,1-dimethylpyrazol-3-amine

4-bromo-N-(2-methoxyethyl)-N,1-dimethylpyrazol-3-amine (PubChem CID 90289435) has the molecular formula C8H14BrN3O and a molecular weight of 248.12 g/mol. Its IUPAC name is 4-bromo-N-(2-methoxyethyl)-N,1-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-N-(2-methoxyethyl)-N,1-dimethylpyrazol-3-amine
PubChem CID90289435
Molecular FormulaC8H14BrN3O
Molecular Weight248.12 g/mol
Exact Mass247.03
IUPAC Name4-bromo-N-(2-methoxyethyl)-N,1-dimethylpyrazol-3-amine
SMILESCOCCN(C)c1nn(C)cc1Br
InChIInChI=1S/C8H14BrN3O/c1-11(4-5-13-3)8-7(9)6-12(2)10-8/h6H,4-5H2,1-3H3
InChIKeyJVVJSFXDQKPDQX-UHFFFAOYSA-N
XLogP1.27
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methoxyethyl)-N,1-dimethylpyrazol-3-amine?
The IUPAC name of 4-bromo-N-(2-methoxyethyl)-N,1-dimethylpyrazol-3-amine (CID 90289435) is 4-bromo-N-(2-methoxyethyl)-N,1-dimethylpyrazol-3-amine.
What is the SMILES notation for 4-bromo-N-(2-methoxyethyl)-N,1-dimethylpyrazol-3-amine?
The canonical SMILES for 4-bromo-N-(2-methoxyethyl)-N,1-dimethylpyrazol-3-amine is COCCN(C)c1nn(C)cc1Br.
What is the InChIKey of 4-bromo-N-(2-methoxyethyl)-N,1-dimethylpyrazol-3-amine?
The InChIKey is JVVJSFXDQKPDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3O/c1-11(4-5-13-3)8-7(9)6-12(2)10-8/h6H,4-5H2,1-3H3.
What are the key properties of 4-bromo-N-(2-methoxyethyl)-N,1-dimethylpyrazol-3-amine?
4-bromo-N-(2-methoxyethyl)-N,1-dimethylpyrazol-3-amine has a molecular weight of 248.12 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methoxyethyl)-N,1-dimethylpyrazol-3-amine is sourced from PubChem (CID 90289435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).