2-(1-butan-2-ylpyrazol-3-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine

C16H25N3O — CID 104989847

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine
SMILESCCc1ccc(C(Cc2ccn(C(C)CC)n2)NC)o1
InChIInChI=1S/C16H25N3O/c1-5-12(3)19-10-9-13(18-19)11-15(17-4)16-8-7-14(6-2)20-16/h7-10,12,15,17H,5-6,11H2,1-4H3
InChIKeyNANIWWIHQBXHJY-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.51
Rot. Bonds7

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine

2-(1-butan-2-ylpyrazol-3-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine (PubChem CID 104989847) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine
PubChem CID104989847
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine
SMILESCCc1ccc(C(Cc2ccn(C(C)CC)n2)NC)o1
InChIInChI=1S/C16H25N3O/c1-5-12(3)19-10-9-13(18-19)11-15(17-4)16-8-7-14(6-2)20-16/h7-10,12,15,17H,5-6,11H2,1-4H3
InChIKeyNANIWWIHQBXHJY-UHFFFAOYSA-N
XLogP3.51
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777420
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
CID 104804919
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503581
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-pyrazin-2-ylethanamine
CID 64777624
1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine
CID 62346389
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-(6-methyl-3-pyridinyl)ethanamine
CID 105154726
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-(5-ethylfuran-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 64783113
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105154754

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine (CID 104989847) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine is CCc1ccc(C(Cc2ccn(C(C)CC)n2)NC)o1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine?
The InChIKey is NANIWWIHQBXHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-12(3)19-10-9-13(18-19)11-15(17-4)16-8-7-14(6-2)20-16/h7-10,12,15,17H,5-6,11H2,1-4H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine?
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine has a molecular weight of 275.40 g/mol, XLogP of 3.51, 7 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)-1-(5-ethylfuran-2-yl)-N-methylethanamine is sourced from PubChem (CID 104989847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).