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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Related Compounds

4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-5-amine
CID 117341693
4-(2-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine
CID 117319576
4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-5-amine
CID 117382466
4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol
CID 117283395
4-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine
CID 117416678
4-(6-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-5-amine
CID 117455930
4-(4,5-difluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
CID 115112119
4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1H-pyrazol-5-amine
CID 117375445
4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine
CID 117437328
4-(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazol-5-amine
CID 117401942
4-(3,4-dihydro-1H-isochromen-8-yl)-1H-pyrazol-5-amine
CID 117306878
4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methoxyphenol
CID 117319151

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).