N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine

C15H22BrN3O — CID 105000320

IUPACN-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Br)c(C)nn1C)c1coc(C)c1
InChIInChI=1S/C15H22BrN3O/c1-5-6-17-13(12-7-10(2)20-9-12)8-14-15(16)11(3)18-19(14)4/h7,9,13,17H,5-6,8H2,1-4H3
InChIKeyDASZYRJSHYYQFV-UHFFFAOYSA-N
MW340.27 g/mol
LogP3.68
Rot. Bonds6

About N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine

N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine (PubChem CID 105000320) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
PubChem CID105000320
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC NameN-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Br)c(C)nn1C)c1coc(C)c1
InChIInChI=1S/C15H22BrN3O/c1-5-6-17-13(12-7-10(2)20-9-12)8-14-15(16)11(3)18-19(14)4/h7,9,13,17H,5-6,8H2,1-4H3
InChIKeyDASZYRJSHYYQFV-UHFFFAOYSA-N
XLogP3.68
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 105000428
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 104994582
N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 105000467
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 105000414
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]hydrazine
CID 105315999
1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105049859
N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821315
N-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821262
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-bromo-2-methylphenyl)ethyl]hydrazine
CID 105317802
N-[(4-bromo-1-methylpyrazol-5-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 105054085
1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine
CID 115814330
3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine
CID 115846210

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine (CID 105000320) is N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine is CCCNC(Cc1c(Br)c(C)nn1C)c1coc(C)c1.
What is the InChIKey of N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine?
The InChIKey is DASZYRJSHYYQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-5-6-17-13(12-7-10(2)20-9-12)8-14-15(16)11(3)18-19(14)4/h7,9,13,17H,5-6,8H2,1-4H3.
What are the key properties of N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine?
N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine has a molecular weight of 340.27 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105000320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).