5-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine

C11H10FN3O — CID 117311881

IUPAC5-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2c(F)ccc3c2OCC3)[nH]n1
InChIInChI=1S/C11H10FN3O/c12-7-2-1-6-3-4-16-11(6)10(7)8-5-9(13)15-14-8/h1-2,5H,3-4H2,(H3,13,14,15)
InChIKeyBLNLTWPRNSQPTM-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.73
Rot. Bonds1

About 5-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine

5-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine (PubChem CID 117311881) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 5-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine
PubChem CID117311881
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name5-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2c(F)ccc3c2OCC3)[nH]n1
InChIInChI=1S/C11H10FN3O/c12-7-2-1-6-3-4-16-11(6)10(7)8-5-9(13)15-14-8/h1-2,5H,3-4H2,(H3,13,14,15)
InChIKeyBLNLTWPRNSQPTM-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 5-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine (CID 117311881) is 5-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine is Nc1cc(-c2c(F)ccc3c2OCC3)[nH]n1.
What is the InChIKey of 5-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine?
The InChIKey is BLNLTWPRNSQPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-7-2-1-6-3-4-16-11(6)10(7)8-5-9(13)15-14-8/h1-2,5H,3-4H2,(H3,13,14,15).
What are the key properties of 5-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine?
5-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-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 5-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117311881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).