2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine

C15H23N3O — CID 104804919

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
SMILESCCC(C)n1ccc(CC(NC)c2occc2C)n1
InChIInChI=1S/C15H23N3O/c1-5-12(3)18-8-6-13(17-18)10-14(16-4)15-11(2)7-9-19-15/h6-9,12,14,16H,5,10H2,1-4H3
InChIKeyGLLWVOZMHQYYSV-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.26
Rot. Bonds6

About 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine

2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine (PubChem CID 104804919) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
PubChem CID104804919
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
SMILESCCC(C)n1ccc(CC(NC)c2occc2C)n1
InChIInChI=1S/C15H23N3O/c1-5-12(3)18-8-6-13(17-18)10-14(16-4)15-11(2)7-9-19-15/h6-9,12,14,16H,5,10H2,1-4H3
InChIKeyGLLWVOZMHQYYSV-UHFFFAOYSA-N
XLogP3.26
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol
CID 104800715
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dimethylphenyl)-N-methylethanamine
CID 104989612
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777420
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503581
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 104989847
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105154726
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine
CID 64777624
1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine
CID 103546818
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-fluorophenyl)-N-methylethanamine
CID 64785858
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-iodophenyl)-N-methylethanamine
CID 104989834
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine
CID 64786150
1-(2-chlorofuran-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 106692263

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine (CID 104804919) is 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine is CCC(C)n1ccc(CC(NC)c2occc2C)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine?
The InChIKey is GLLWVOZMHQYYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-5-12(3)18-8-6-13(17-18)10-14(16-4)15-11(2)7-9-19-15/h6-9,12,14,16H,5,10H2,1-4H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine?
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine has a molecular weight of 261.37 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 104804919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).