2-methyl-3-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C18H12F3N3S — CID 1001552

IUPAC2-methyl-3-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1-c1ccccc1
InChIInChI=1S/C18H12F3N3S/c1-11-16(12-6-3-2-4-7-12)17-22-13(14-8-5-9-25-14)10-15(18(19,20)21)24(17)23-11/h2-10H,1H3
InChIKeyXXRGZYHZBVVYSJ-UHFFFAOYSA-N
MW359.38 g/mol
LogP5.45
Rot. Bonds2

About 2-methyl-3-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

2-methyl-3-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 1001552) has the molecular formula C18H12F3N3S and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-methyl-3-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-3-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID1001552
Molecular FormulaC18H12F3N3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC Name2-methyl-3-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1-c1ccccc1
InChIInChI=1S/C18H12F3N3S/c1-11-16(12-6-3-2-4-7-12)17-22-13(14-8-5-9-25-14)10-15(18(19,20)21)24(17)23-11/h2-10H,1H3
InChIKeyXXRGZYHZBVVYSJ-UHFFFAOYSA-N
XLogP5.45
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.38
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-3-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 1001552) is 2-methyl-3-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-3-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-3-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1-c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is XXRGZYHZBVVYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3S/c1-11-16(12-6-3-2-4-7-12)17-22-13(14-8-5-9-25-14)10-15(18(19,20)21)24(17)23-11/h2-10H,1H3.
What are the key properties of 2-methyl-3-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-methyl-3-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 359.38 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1001552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).