5-[5-[2-(3-fluorophenyl)ethynyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidine

C18H10FN3S — CID 68607014

IUPAC5-[5-[2-(3-fluorophenyl)ethynyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESFc1cccc(C#Cc2ccc(-c3ccn4nccc4n3)s2)c1
InChIInChI=1S/C18H10FN3S/c19-14-3-1-2-13(12-14)4-5-15-6-7-17(23-15)16-9-11-22-18(21-16)8-10-20-22/h1-3,6-12H
InChIKeyFYZDWAHQEDSHAQ-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.00
Rot. Bonds1

About 5-[5-[2-(3-fluorophenyl)ethynyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidine

5-[5-[2-(3-fluorophenyl)ethynyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 68607014) has the molecular formula C18H10FN3S and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-[5-[2-(3-fluorophenyl)ethynyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[5-[2-(3-fluorophenyl)ethynyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID68607014
Molecular FormulaC18H10FN3S
Molecular Weight319.36 g/mol
Exact Mass319.06
IUPAC Name5-[5-[2-(3-fluorophenyl)ethynyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESFc1cccc(C#Cc2ccc(-c3ccn4nccc4n3)s2)c1
InChIInChI=1S/C18H10FN3S/c19-14-3-1-2-13(12-14)4-5-15-6-7-17(23-15)16-9-11-22-18(21-16)8-10-20-22/h1-3,6-12H
InChIKeyFYZDWAHQEDSHAQ-UHFFFAOYSA-N
XLogP4.00
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(3-fluorophenyl)ethynyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[5-[2-(3-fluorophenyl)ethynyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidine (CID 68607014) is 5-[5-[2-(3-fluorophenyl)ethynyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[5-[2-(3-fluorophenyl)ethynyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[5-[2-(3-fluorophenyl)ethynyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidine is Fc1cccc(C#Cc2ccc(-c3ccn4nccc4n3)s2)c1.
What is the InChIKey of 5-[5-[2-(3-fluorophenyl)ethynyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is FYZDWAHQEDSHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10FN3S/c19-14-3-1-2-13(12-14)4-5-15-6-7-17(23-15)16-9-11-22-18(21-16)8-10-20-22/h1-3,6-12H.
What are the key properties of 5-[5-[2-(3-fluorophenyl)ethynyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidine?
5-[5-[2-(3-fluorophenyl)ethynyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 319.36 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(3-fluorophenyl)ethynyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 68607014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).