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

C16H10FN3S — CID 1472857

IUPAC3-(4-fluorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESFc1ccc(-c2cnn3c(-c4cccs4)ccnc23)cc1
InChIInChI=1S/C16H10FN3S/c17-12-5-3-11(4-6-12)13-10-19-20-14(7-8-18-16(13)20)15-2-1-9-21-15/h1-10H
InChIKeyHCCADCGJTAFYPW-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.26
Rot. Bonds2

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

3-(4-fluorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 1472857) has the molecular formula C16H10FN3S and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID1472857
Molecular FormulaC16H10FN3S
Molecular Weight295.34 g/mol
Exact Mass295.06
IUPAC Name3-(4-fluorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESFc1ccc(-c2cnn3c(-c4cccs4)ccnc23)cc1
InChIInChI=1S/C16H10FN3S/c17-12-5-3-11(4-6-12)13-10-19-20-14(7-8-18-16(13)20)15-2-1-9-21-15/h1-10H
InChIKeyHCCADCGJTAFYPW-UHFFFAOYSA-N
XLogP4.26
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-fluorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (CID 1472857) is 3-(4-fluorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-fluorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-fluorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is Fc1ccc(-c2cnn3c(-c4cccs4)ccnc23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is HCCADCGJTAFYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3S/c17-12-5-3-11(4-6-12)13-10-19-20-14(7-8-18-16(13)20)15-2-1-9-21-15/h1-10H.
What are the key properties of 3-(4-fluorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
3-(4-fluorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 295.34 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1472857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).