1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine

C10H18BrN3O — CID 105189862

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine
SMILESCOC(C)CCC(N)c1c(Br)cnn1C
InChIInChI=1S/C10H18BrN3O/c1-7(15-3)4-5-9(12)10-8(11)6-13-14(10)2/h6-7,9H,4-5,12H2,1-3H3
InChIKeyHVQTWEPEGNZAQZ-UHFFFAOYSA-N
MW276.18 g/mol
LogP2.00
Rot. Bonds5

About 1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine

1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine (PubChem CID 105189862) has the molecular formula C10H18BrN3O and a molecular weight of 276.18 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine
PubChem CID105189862
Molecular FormulaC10H18BrN3O
Molecular Weight276.18 g/mol
Exact Mass275.06
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine
SMILESCOC(C)CCC(N)c1c(Br)cnn1C
InChIInChI=1S/C10H18BrN3O/c1-7(15-3)4-5-9(12)10-8(11)6-13-14(10)2/h6-7,9H,4-5,12H2,1-3H3
InChIKeyHVQTWEPEGNZAQZ-UHFFFAOYSA-N
XLogP2.00
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648705
1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114659465
1-(4-bromo-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148168
(3R)-3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586349
3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586350
[1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxypentyl]hydrazine
CID 105271805
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216484
1-(4-bromo-1-methylpyrazol-5-yl)-3-(3-methylphenyl)propan-1-amine
CID 105189904
1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105054241
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol
CID 114643180
2-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N-methylethanamine
CID 83843732
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol
CID 114645635

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine (CID 105189862) is 1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine is COC(C)CCC(N)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine?
The InChIKey is HVQTWEPEGNZAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3O/c1-7(15-3)4-5-9(12)10-8(11)6-13-14(10)2/h6-7,9H,4-5,12H2,1-3H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine?
1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine has a molecular weight of 276.18 g/mol, XLogP of 2.00, 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)-4-methoxypentan-1-amine is sourced from PubChem (CID 105189862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).