4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-amine

C11H10FN3O — CID 117311888

IUPAC4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cc2c(cc1F)OCC2
InChIInChI=1S/C11H10FN3O/c12-9-4-10-6(1-2-16-10)3-7(9)8-5-14-15-11(8)13/h3-5H,1-2H2,(H3,13,14,15)
InChIKeyGLGCXEOOYKLYMK-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.73
Rot. Bonds1

About 4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-amine

4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-amine (PubChem CID 117311888) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-amine
PubChem CID117311888
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cc2c(cc1F)OCC2
InChIInChI=1S/C11H10FN3O/c12-9-4-10-6(1-2-16-10)3-7(9)8-5-14-15-11(8)13/h3-5H,1-2H2,(H3,13,14,15)
InChIKeyGLGCXEOOYKLYMK-UHFFFAOYSA-N
XLogP1.73
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-amine (CID 117311888) is 4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1cc2c(cc1F)OCC2.
What is the InChIKey of 4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-amine?
The InChIKey is GLGCXEOOYKLYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-9-4-10-6(1-2-16-10)3-7(9)8-5-14-15-11(8)13/h3-5H,1-2H2,(H3,13,14,15).
What are the key properties of 4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-amine?
4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-amine has a molecular weight of 219.22 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117311888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).