1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine

C15H16FN3O — CID 105148590

IUPAC1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
SMILESCNC(c1oc2ccc(F)cc2c1C)c1ccnn1C
InChIInChI=1S/C15H16FN3O/c1-9-11-8-10(16)4-5-13(11)20-15(9)14(17-2)12-6-7-18-19(12)3/h4-8,14,17H,1-3H3
InChIKeyUDEKCOHEZXDYMC-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.92
Rot. Bonds3

About 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine (PubChem CID 105148590) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
PubChem CID105148590
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
SMILESCNC(c1oc2ccc(F)cc2c1C)c1ccnn1C
InChIInChI=1S/C15H16FN3O/c1-9-11-8-10(16)4-5-13(11)20-15(9)14(17-2)12-6-7-18-19(12)3/h4-8,14,17H,1-3H3
InChIKeyUDEKCOHEZXDYMC-UHFFFAOYSA-N
XLogP2.92
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine (CID 105148590) is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine is CNC(c1oc2ccc(F)cc2c1C)c1ccnn1C.
What is the InChIKey of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is UDEKCOHEZXDYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-9-11-8-10(16)4-5-13(11)20-15(9)14(17-2)12-6-7-18-19(12)3/h4-8,14,17H,1-3H3.
What are the key properties of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine?
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 273.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 105148590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).