5-(3-ethyl-1-benzofuran-2-yl)-N-propyl-1H-pyrazol-3-amine

C16H19N3O — CID 63529269

IUPAC5-(3-ethyl-1-benzofuran-2-yl)-N-propyl-1H-pyrazol-3-amine
SMILESCCCNc1cc(-c2oc3ccccc3c2CC)[nH]n1
InChIInChI=1S/C16H19N3O/c1-3-9-17-15-10-13(18-19-15)16-11(4-2)12-7-5-6-8-14(12)20-16/h5-8,10H,3-4,9H2,1-2H3,(H2,17,18,19)
InChIKeyFVKQXDBOQUBKIE-UHFFFAOYSA-N
MW269.35 g/mol
LogP4.21
Rot. Bonds5

About 5-(3-ethyl-1-benzofuran-2-yl)-N-propyl-1H-pyrazol-3-amine

5-(3-ethyl-1-benzofuran-2-yl)-N-propyl-1H-pyrazol-3-amine (PubChem CID 63529269) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-(3-ethyl-1-benzofuran-2-yl)-N-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-ethyl-1-benzofuran-2-yl)-N-propyl-1H-pyrazol-3-amine
PubChem CID63529269
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-(3-ethyl-1-benzofuran-2-yl)-N-propyl-1H-pyrazol-3-amine
SMILESCCCNc1cc(-c2oc3ccccc3c2CC)[nH]n1
InChIInChI=1S/C16H19N3O/c1-3-9-17-15-10-13(18-19-15)16-11(4-2)12-7-5-6-8-14(12)20-16/h5-8,10H,3-4,9H2,1-2H3,(H2,17,18,19)
InChIKeyFVKQXDBOQUBKIE-UHFFFAOYSA-N
XLogP4.21
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-1-benzofuran-2-yl)-N-propyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-ethyl-1-benzofuran-2-yl)-N-propyl-1H-pyrazol-3-amine (CID 63529269) is 5-(3-ethyl-1-benzofuran-2-yl)-N-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-ethyl-1-benzofuran-2-yl)-N-propyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-ethyl-1-benzofuran-2-yl)-N-propyl-1H-pyrazol-3-amine is CCCNc1cc(-c2oc3ccccc3c2CC)[nH]n1.
What is the InChIKey of 5-(3-ethyl-1-benzofuran-2-yl)-N-propyl-1H-pyrazol-3-amine?
The InChIKey is FVKQXDBOQUBKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-9-17-15-10-13(18-19-15)16-11(4-2)12-7-5-6-8-14(12)20-16/h5-8,10H,3-4,9H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-(3-ethyl-1-benzofuran-2-yl)-N-propyl-1H-pyrazol-3-amine?
5-(3-ethyl-1-benzofuran-2-yl)-N-propyl-1H-pyrazol-3-amine has a molecular weight of 269.35 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-1-benzofuran-2-yl)-N-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63529269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).