3-(1-benzofuran-2-yl)-1-pentan-3-ylpyrazol-4-amine

C16H19N3O — CID 83218503

IUPAC3-(1-benzofuran-2-yl)-1-pentan-3-ylpyrazol-4-amine
SMILESCCC(CC)n1cc(N)c(-c2cc3ccccc3o2)n1
InChIInChI=1S/C16H19N3O/c1-3-12(4-2)19-10-13(17)16(18-19)15-9-11-7-5-6-8-14(11)20-15/h5-10,12H,3-4,17H2,1-2H3
InChIKeyNWMAGMTUBICJEV-UHFFFAOYSA-N
MW269.35 g/mol
LogP4.24
Rot. Bonds4

About 3-(1-benzofuran-2-yl)-1-pentan-3-ylpyrazol-4-amine

3-(1-benzofuran-2-yl)-1-pentan-3-ylpyrazol-4-amine (PubChem CID 83218503) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-1-pentan-3-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-1-pentan-3-ylpyrazol-4-amine
PubChem CID83218503
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-(1-benzofuran-2-yl)-1-pentan-3-ylpyrazol-4-amine
SMILESCCC(CC)n1cc(N)c(-c2cc3ccccc3o2)n1
InChIInChI=1S/C16H19N3O/c1-3-12(4-2)19-10-13(17)16(18-19)15-9-11-7-5-6-8-14(11)20-15/h5-10,12H,3-4,17H2,1-2H3
InChIKeyNWMAGMTUBICJEV-UHFFFAOYSA-N
XLogP4.24
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-1-pentan-3-ylpyrazol-4-amine?
The IUPAC name of 3-(1-benzofuran-2-yl)-1-pentan-3-ylpyrazol-4-amine (CID 83218503) is 3-(1-benzofuran-2-yl)-1-pentan-3-ylpyrazol-4-amine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-1-pentan-3-ylpyrazol-4-amine?
The canonical SMILES for 3-(1-benzofuran-2-yl)-1-pentan-3-ylpyrazol-4-amine is CCC(CC)n1cc(N)c(-c2cc3ccccc3o2)n1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-1-pentan-3-ylpyrazol-4-amine?
The InChIKey is NWMAGMTUBICJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-12(4-2)19-10-13(17)16(18-19)15-9-11-7-5-6-8-14(11)20-15/h5-10,12H,3-4,17H2,1-2H3.
What are the key properties of 3-(1-benzofuran-2-yl)-1-pentan-3-ylpyrazol-4-amine?
3-(1-benzofuran-2-yl)-1-pentan-3-ylpyrazol-4-amine has a molecular weight of 269.35 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-1-pentan-3-ylpyrazol-4-amine is sourced from PubChem (CID 83218503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).