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

C11H10FN3O2 — CID 117341723

IUPAC5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc3c(cc2F)OCCO3)[nH]n1
InChIInChI=1S/C11H10FN3O2/c12-7-4-10-9(16-1-2-17-10)3-6(7)8-5-11(13)15-14-8/h3-5H,1-2H2,(H3,13,14,15)
InChIKeyAKRJOHAGQWOTQJ-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.57
Rot. Bonds1

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

5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine (PubChem CID 117341723) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
PubChem CID117341723
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc3c(cc2F)OCCO3)[nH]n1
InChIInChI=1S/C11H10FN3O2/c12-7-4-10-9(16-1-2-17-10)3-6(7)8-5-11(13)15-14-8/h3-5H,1-2H2,(H3,13,14,15)
InChIKeyAKRJOHAGQWOTQJ-UHFFFAOYSA-N
XLogP1.57
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-1H-pyrazol-3-amine
CID 117459208
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117369983
5-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117427132
4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-5-amine
CID 117341693
5-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine
CID 117334288
5-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-amine
CID 117416700
5-(7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-3-amine
CID 117435984
6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993722
4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine
CID 117378364
3-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine
CID 117378355
3-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methylpyrazol-5-amine
CID 117375477
5-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 117482875

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine (CID 117341723) is 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine is Nc1cc(-c2cc3c(cc2F)OCCO3)[nH]n1.
What is the InChIKey of 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine?
The InChIKey is AKRJOHAGQWOTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c12-7-4-10-9(16-1-2-17-10)3-6(7)8-5-11(13)15-14-8/h3-5H,1-2H2,(H3,13,14,15).
What are the key properties of 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine?
5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine has a molecular weight of 235.22 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117341723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).