5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C18H19FN4O — CID 56909518

IUPAC5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1ccccc1-c1cc(NCC2CCOCC2)n2nccc2n1
InChIInChI=1S/C18H19FN4O/c19-15-4-2-1-3-14(15)16-11-18(23-17(22-16)5-8-21-23)20-12-13-6-9-24-10-7-13/h1-5,8,11,13,20H,6-7,9-10,12H2
InChIKeyVXGGNVFQLWALSA-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.37
Rot. Bonds4

About 5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56909518) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56909518
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1ccccc1-c1cc(NCC2CCOCC2)n2nccc2n1
InChIInChI=1S/C18H19FN4O/c19-15-4-2-1-3-14(15)16-11-18(23-17(22-16)5-8-21-23)20-12-13-6-9-24-10-7-13/h1-5,8,11,13,20H,6-7,9-10,12H2
InChIKeyVXGGNVFQLWALSA-UHFFFAOYSA-N
XLogP3.37
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 56909518) is 5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Fc1ccccc1-c1cc(NCC2CCOCC2)n2nccc2n1.
What is the InChIKey of 5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VXGGNVFQLWALSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c19-15-4-2-1-3-14(15)16-11-18(23-17(22-16)5-8-21-23)20-12-13-6-9-24-10-7-13/h1-5,8,11,13,20H,6-7,9-10,12H2.
What are the key properties of 5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 326.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56909518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).