1-[5-(aminomethyl)furan-2-yl]-2-(1-pentan-3-ylpyrazol-3-yl)ethanone

C15H21N3O2 — CID 116590162

IUPAC1-[5-(aminomethyl)furan-2-yl]-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
SMILESCCC(CC)n1ccc(CC(=O)c2ccc(CN)o2)n1
InChIInChI=1S/C15H21N3O2/c1-3-12(4-2)18-8-7-11(17-18)9-14(19)15-6-5-13(10-16)20-15/h5-8,12H,3-4,9-10,16H2,1-2H3
InChIKeyXXDIUHKSSWOVFP-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.72
Rot. Bonds7

About 1-[5-(aminomethyl)furan-2-yl]-2-(1-pentan-3-ylpyrazol-3-yl)ethanone

1-[5-(aminomethyl)furan-2-yl]-2-(1-pentan-3-ylpyrazol-3-yl)ethanone (PubChem CID 116590162) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[5-(aminomethyl)furan-2-yl]-2-(1-pentan-3-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[5-(aminomethyl)furan-2-yl]-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
PubChem CID116590162
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[5-(aminomethyl)furan-2-yl]-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
SMILESCCC(CC)n1ccc(CC(=O)c2ccc(CN)o2)n1
InChIInChI=1S/C15H21N3O2/c1-3-12(4-2)18-8-7-11(17-18)9-14(19)15-6-5-13(10-16)20-15/h5-8,12H,3-4,9-10,16H2,1-2H3
InChIKeyXXDIUHKSSWOVFP-UHFFFAOYSA-N
XLogP2.72
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(aminomethyl)furan-2-yl]-2-(1-pentan-3-ylpyrazol-3-yl)ethanone with MolForge

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Related Compounds

1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 79078114
4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one
CID 116609163
1-(4-amino-3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 116581933
1-(3,5-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 114976128
1-(2-amino-4-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 64915396
1-[5-(aminomethyl)furan-2-yl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanone
CID 116590106
3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
CID 116592810
7-amino-5,5-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-one
CID 116574945
1-(1-pentan-3-ylpyrazol-3-yl)octan-2-one
CID 114976201
4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-one
CID 64783167
1-(1-pentan-3-ylpyrazol-3-yl)decan-2-one
CID 114976149
3-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
CID 116590478

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)furan-2-yl]-2-(1-pentan-3-ylpyrazol-3-yl)ethanone?
The IUPAC name of 1-[5-(aminomethyl)furan-2-yl]-2-(1-pentan-3-ylpyrazol-3-yl)ethanone (CID 116590162) is 1-[5-(aminomethyl)furan-2-yl]-2-(1-pentan-3-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-[5-(aminomethyl)furan-2-yl]-2-(1-pentan-3-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-[5-(aminomethyl)furan-2-yl]-2-(1-pentan-3-ylpyrazol-3-yl)ethanone is CCC(CC)n1ccc(CC(=O)c2ccc(CN)o2)n1.
What is the InChIKey of 1-[5-(aminomethyl)furan-2-yl]-2-(1-pentan-3-ylpyrazol-3-yl)ethanone?
The InChIKey is XXDIUHKSSWOVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-12(4-2)18-8-7-11(17-18)9-14(19)15-6-5-13(10-16)20-15/h5-8,12H,3-4,9-10,16H2,1-2H3.
What are the key properties of 1-[5-(aminomethyl)furan-2-yl]-2-(1-pentan-3-ylpyrazol-3-yl)ethanone?
1-[5-(aminomethyl)furan-2-yl]-2-(1-pentan-3-ylpyrazol-3-yl)ethanone has a molecular weight of 275.35 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)furan-2-yl]-2-(1-pentan-3-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 116590162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).