1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-amine

C11H20BrN3O — CID 103029368

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-amine
SMILESCCn1ncc(Br)c1C(N)CC(C)(C)OC
InChIInChI=1S/C11H20BrN3O/c1-5-15-10(8(12)7-14-15)9(13)6-11(2,3)16-4/h7,9H,5-6,13H2,1-4H3
InChIKeyQHFCEBTWFBCFMD-UHFFFAOYSA-N
MW290.20 g/mol
LogP2.48
Rot. Bonds5

About 1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-amine

1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-amine (PubChem CID 103029368) has the molecular formula C11H20BrN3O and a molecular weight of 290.20 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-amine
PubChem CID103029368
Molecular FormulaC11H20BrN3O
Molecular Weight290.20 g/mol
Exact Mass289.08
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-amine
SMILESCCn1ncc(Br)c1C(N)CC(C)(C)OC
InChIInChI=1S/C11H20BrN3O/c1-5-15-10(8(12)7-14-15)9(13)6-11(2,3)16-4/h7,9H,5-6,13H2,1-4H3
InChIKeyQHFCEBTWFBCFMD-UHFFFAOYSA-N
XLogP2.48
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-amine (CID 103029368) is 1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-amine is CCn1ncc(Br)c1C(N)CC(C)(C)OC.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-amine?
The InChIKey is QHFCEBTWFBCFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3O/c1-5-15-10(8(12)7-14-15)9(13)6-11(2,3)16-4/h7,9H,5-6,13H2,1-4H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-amine?
1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-amine has a molecular weight of 290.20 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103029368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).