3-(4-fluorophenyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C16H11FN4S — CID 1474449

IUPAC3-(4-fluorophenyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(-c2cccs2)cnc2c(-c3ccc(F)cc3)cnn12
InChIInChI=1S/C16H11FN4S/c17-11-5-3-10(4-6-11)12-9-20-21-15(18)13(8-19-16(12)21)14-2-1-7-22-14/h1-9H,18H2
InChIKeyZPBHTNCLIWHQBB-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.85
Rot. Bonds2

About 3-(4-fluorophenyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-(4-fluorophenyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1474449) has the molecular formula C16H11FN4S and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID1474449
Molecular FormulaC16H11FN4S
Molecular Weight310.36 g/mol
Exact Mass310.07
IUPAC Name3-(4-fluorophenyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(-c2cccs2)cnc2c(-c3ccc(F)cc3)cnn12
InChIInChI=1S/C16H11FN4S/c17-11-5-3-10(4-6-11)12-9-20-21-15(18)13(8-19-16(12)21)14-2-1-7-22-14/h1-9H,18H2
InChIKeyZPBHTNCLIWHQBB-UHFFFAOYSA-N
XLogP3.85
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-fluorophenyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 1474449) is 3-(4-fluorophenyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-fluorophenyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(-c2cccs2)cnc2c(-c3ccc(F)cc3)cnn12.
What is the InChIKey of 3-(4-fluorophenyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZPBHTNCLIWHQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4S/c17-11-5-3-10(4-6-11)12-9-20-21-15(18)13(8-19-16(12)21)14-2-1-7-22-14/h1-9H,18H2.
What are the key properties of 3-(4-fluorophenyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-fluorophenyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 310.36 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1474449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).