1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N,2-dimethylbutan-1-amine

C11H20BrN3O — CID 114661565

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCCC(C)(OC)C(NC)c1c(Br)cnn1C
InChIInChI=1S/C11H20BrN3O/c1-6-11(2,16-5)10(13-3)9-8(12)7-14-15(9)4/h7,10,13H,6H2,1-5H3
InChIKeyIPZIXJYJSVDGBP-UHFFFAOYSA-N
MW290.20 g/mol
LogP2.26
Rot. Bonds5

About 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N,2-dimethylbutan-1-amine

1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N,2-dimethylbutan-1-amine (PubChem CID 114661565) has the molecular formula C11H20BrN3O and a molecular weight of 290.20 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N,2-dimethylbutan-1-amine
PubChem CID114661565
Molecular FormulaC11H20BrN3O
Molecular Weight290.20 g/mol
Exact Mass289.08
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCCC(C)(OC)C(NC)c1c(Br)cnn1C
InChIInChI=1S/C11H20BrN3O/c1-6-11(2,16-5)10(13-3)9-8(12)7-14-15(9)4/h7,10,13H,6H2,1-5H3
InChIKeyIPZIXJYJSVDGBP-UHFFFAOYSA-N
XLogP2.26
TPSA39.08 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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine
CID 130899126
1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 106462995
1-(4-bromo-1-methylpyrazol-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029500
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 114661716
1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 83840801
1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 114653131
1-(4-bromo-1-methylpyrazol-5-yl)-1-N,2-diethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 114656911
[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethylbutyl]hydrazine
CID 105342070
1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol
CID 103448738
2-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N-methylethanamine
CID 83843732
1-(4-bromo-1-methylpyrazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 114657995
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol
CID 114643180

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N,2-dimethylbutan-1-amine (CID 114661565) is 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N,2-dimethylbutan-1-amine is CCC(C)(OC)C(NC)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N,2-dimethylbutan-1-amine?
The InChIKey is IPZIXJYJSVDGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3O/c1-6-11(2,16-5)10(13-3)9-8(12)7-14-15(9)4/h7,10,13H,6H2,1-5H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N,2-dimethylbutan-1-amine?
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N,2-dimethylbutan-1-amine has a molecular weight of 290.20 g/mol, XLogP of 2.26, 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-methylpyrazol-5-yl)-2-methoxy-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 114661565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).