5-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-amine

C12H12FN3O3 — CID 117416700

IUPAC5-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-amine
SMILESCOc1c(F)cc2c(c1-c1cc(N)n[nH]1)OCCO2
InChIInChI=1S/C12H12FN3O3/c1-17-11-6(13)4-8-12(19-3-2-18-8)10(11)7-5-9(14)16-15-7/h4-5H,2-3H2,1H3,(H3,14,15,16)
InChIKeyAVHHMRATALBDLI-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.58
Rot. Bonds2

About 5-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-amine

5-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-amine (PubChem CID 117416700) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 5-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-amine
PubChem CID117416700
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name5-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-amine
SMILESCOc1c(F)cc2c(c1-c1cc(N)n[nH]1)OCCO2
InChIInChI=1S/C12H12FN3O3/c1-17-11-6(13)4-8-12(19-3-2-18-8)10(11)7-5-9(14)16-15-7/h4-5H,2-3H2,1H3,(H3,14,15,16)
InChIKeyAVHHMRATALBDLI-UHFFFAOYSA-N
XLogP1.58
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-amine (CID 117416700) is 5-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-amine is COc1c(F)cc2c(c1-c1cc(N)n[nH]1)OCCO2.
What is the InChIKey of 5-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-amine?
The InChIKey is AVHHMRATALBDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c1-17-11-6(13)4-8-12(19-3-2-18-8)10(11)7-5-9(14)16-15-7/h4-5H,2-3H2,1H3,(H3,14,15,16).
What are the key properties of 5-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-amine?
5-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-amine has a molecular weight of 265.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117416700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).