3-(6-fluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine

C12H10FN3O — CID 117333786

IUPAC3-(6-fluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2c(F)ccc3ccoc23)cc1N
InChIInChI=1S/C12H10FN3O/c1-16-10(14)6-9(15-16)11-8(13)3-2-7-4-5-17-12(7)11/h2-6H,14H2,1H3
InChIKeyJXXZXUXTZYNYRA-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.55
Rot. Bonds1

About 3-(6-fluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine

3-(6-fluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine (PubChem CID 117333786) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 3-(6-fluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(6-fluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine
PubChem CID117333786
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name3-(6-fluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2c(F)ccc3ccoc23)cc1N
InChIInChI=1S/C12H10FN3O/c1-16-10(14)6-9(15-16)11-8(13)3-2-7-4-5-17-12(7)11/h2-6H,14H2,1H3
InChIKeyJXXZXUXTZYNYRA-UHFFFAOYSA-N
XLogP2.55
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(6-fluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine (CID 117333786) is 3-(6-fluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(6-fluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(6-fluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine is Cn1nc(-c2c(F)ccc3ccoc23)cc1N.
What is the InChIKey of 3-(6-fluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine?
The InChIKey is JXXZXUXTZYNYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c1-16-10(14)6-9(15-16)11-8(13)3-2-7-4-5-17-12(7)11/h2-6H,14H2,1H3.
What are the key properties of 3-(6-fluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine?
3-(6-fluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine has a molecular weight of 231.23 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117333786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).