3-(4-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C17H9ClF3N3O — CID 1250574

IUPAC3-(4-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccco2)nc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C17H9ClF3N3O/c18-11-5-3-10(4-6-11)12-9-22-24-15(17(19,20)21)8-13(23-16(12)24)14-2-1-7-25-14/h1-9H
InChIKeyBOBSMKVNTRMMQQ-UHFFFAOYSA-N
MW363.73 g/mol
LogP5.33
Rot. Bonds2

About 3-(4-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-(4-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 1250574) has the molecular formula C17H9ClF3N3O and a molecular weight of 363.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID1250574
Molecular FormulaC17H9ClF3N3O
Molecular Weight363.73 g/mol
Exact Mass363.04
IUPAC Name3-(4-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccco2)nc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C17H9ClF3N3O/c18-11-5-3-10(4-6-11)12-9-22-24-15(17(19,20)21)8-13(23-16(12)24)14-2-1-7-25-14/h1-9H
InChIKeyBOBSMKVNTRMMQQ-UHFFFAOYSA-N
XLogP5.33
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.73
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 1250574) is 3-(4-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(-c2ccco2)nc2c(-c3ccc(Cl)cc3)cnn12.
What is the InChIKey of 3-(4-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is BOBSMKVNTRMMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3N3O/c18-11-5-3-10(4-6-11)12-9-22-24-15(17(19,20)21)8-13(23-16(12)24)14-2-1-7-25-14/h1-9H.
What are the key properties of 3-(4-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-(4-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 363.73 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1250574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).