5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine

C11H11N3O — CID 117290116

IUPAC5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cccc3c2OCC3)[nH]n1
InChIInChI=1S/C11H11N3O/c12-10-6-9(13-14-10)8-3-1-2-7-4-5-15-11(7)8/h1-3,6H,4-5H2,(H3,12,13,14)
InChIKeyPCPOIUMXOFTECA-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.59
Rot. Bonds1

About 5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine

5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine (PubChem CID 117290116) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine
PubChem CID117290116
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cccc3c2OCC3)[nH]n1
InChIInChI=1S/C11H11N3O/c12-10-6-9(13-14-10)8-3-1-2-7-4-5-15-11(7)8/h1-3,6H,4-5H2,(H3,12,13,14)
InChIKeyPCPOIUMXOFTECA-UHFFFAOYSA-N
XLogP1.59
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine (CID 117290116) is 5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine is Nc1cc(-c2cccc3c2OCC3)[nH]n1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine?
The InChIKey is PCPOIUMXOFTECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-10-6-9(13-14-10)8-3-1-2-7-4-5-15-11(7)8/h1-3,6H,4-5H2,(H3,12,13,14).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine?
5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine has a molecular weight of 201.23 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117290116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).