(5-fluoro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine

C15H11FN4O — CID 103128255

IUPAC(5-fluoro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
SMILESNC(c1cc2cc(F)ccc2o1)c1cnn2ccncc12
InChIInChI=1S/C15H11FN4O/c16-10-1-2-13-9(5-10)6-14(21-13)15(17)11-7-19-20-4-3-18-8-12(11)20/h1-8,15H,17H2
InChIKeyUGTCTGFQEACIKO-UHFFFAOYSA-N
MW282.28 g/mol
LogP2.66
Rot. Bonds2

About (5-fluoro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine

(5-fluoro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine (PubChem CID 103128255) has the molecular formula C15H11FN4O and a molecular weight of 282.28 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
PubChem CID103128255
Molecular FormulaC15H11FN4O
Molecular Weight282.28 g/mol
Exact Mass282.09
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
SMILESNC(c1cc2cc(F)ccc2o1)c1cnn2ccncc12
InChIInChI=1S/C15H11FN4O/c16-10-1-2-13-9(5-10)6-14(21-13)15(17)11-7-19-20-4-3-18-8-12(11)20/h1-8,15H,17H2
InChIKeyUGTCTGFQEACIKO-UHFFFAOYSA-N
XLogP2.66
TPSA69.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzofuran-2-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanol
CID 103129234
(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
CID 103126268
naphthalen-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanamine
CID 103126924
2-(3,5-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103128392
(4-methoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
CID 103126217
(5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine
CID 105046202
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727129
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine
CID 105185794
(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046082
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine
CID 105046160
1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-amine
CID 103125780
2-(4-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126754

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine (CID 103128255) is (5-fluoro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine is NC(c1cc2cc(F)ccc2o1)c1cnn2ccncc12.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine?
The InChIKey is UGTCTGFQEACIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O/c16-10-1-2-13-9(5-10)6-14(21-13)15(17)11-7-19-20-4-3-18-8-12(11)20/h1-8,15H,17H2.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine?
(5-fluoro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine has a molecular weight of 282.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine is sourced from PubChem (CID 103128255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).