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

C12H12FN3O3 — CID 117416678

IUPAC4-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine
SMILESCOc1c(F)cc2c(c1-c1cn[nH]c1N)OCCO2
InChIInChI=1S/C12H12FN3O3/c1-17-10-7(13)4-8-11(19-3-2-18-8)9(10)6-5-15-16-12(6)14/h4-5H,2-3H2,1H3,(H3,14,15,16)
InChIKeyYQFCKSRENZZUBU-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.58
Rot. Bonds2

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

4-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine (PubChem CID 117416678) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 4-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine
PubChem CID117416678
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name4-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine
SMILESCOc1c(F)cc2c(c1-c1cn[nH]c1N)OCCO2
InChIInChI=1S/C12H12FN3O3/c1-17-10-7(13)4-8-11(19-3-2-18-8)9(10)6-5-15-16-12(6)14/h4-5H,2-3H2,1H3,(H3,14,15,16)
InChIKeyYQFCKSRENZZUBU-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 4-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine (CID 117416678) is 4-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine is COc1c(F)cc2c(c1-c1cn[nH]c1N)OCCO2.
What is the InChIKey of 4-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine?
The InChIKey is YQFCKSRENZZUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c1-17-10-7(13)4-8-11(19-3-2-18-8)9(10)6-5-15-16-12(6)14/h4-5H,2-3H2,1H3,(H3,14,15,16).
What are the key properties of 4-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine?
4-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-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 4-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117416678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).