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

C13H10F3N3S — CID 843719

IUPAC2-methyl-5-(5-methylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccc(C)s3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C13H10F3N3S/c1-7-5-12-17-9(10-4-3-8(2)20-10)6-11(13(14,15)16)19(12)18-7/h3-6H,1-2H3
InChIKeyUJBSNWIYKAINSB-UHFFFAOYSA-N
MW297.31 g/mol
LogP4.09
Rot. Bonds1

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

2-methyl-5-(5-methylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 843719) has the molecular formula C13H10F3N3S and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-methyl-5-(5-methylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-(5-methylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID843719
Molecular FormulaC13H10F3N3S
Molecular Weight297.31 g/mol
Exact Mass297.05
IUPAC Name2-methyl-5-(5-methylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccc(C)s3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C13H10F3N3S/c1-7-5-12-17-9(10-4-3-8(2)20-10)6-11(13(14,15)16)19(12)18-7/h3-6H,1-2H3
InChIKeyUJBSNWIYKAINSB-UHFFFAOYSA-N
XLogP4.09
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-(5-methylthiophen-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

Related Compounds

1,3-Dimethyl-6-(2-thienyl)-4-(trifluoromethyl)-1H-pyrazolo(3,4-B)pyridine
CID 2164249
2,5-Di(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2818919
5-Methyl-2-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2819639
6-Ethylsulfanyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190319
Methyl 5-(2-thienyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 799556
2-Methyl-7-thiophen-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2387196
5-methyl-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 3259062
2-[3-(1H-pyrrol-1-yl)-2-thienyl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4296052
N,N-dimethyl-N'-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide
CID 6279969
3-Methylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7531835
3-(Ethylthio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 7531836
N-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 32801070

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-5-(5-methylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 843719) is 2-methyl-5-(5-methylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-5-(5-methylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-5-(5-methylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc2nc(-c3ccc(C)s3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 2-methyl-5-(5-methylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is UJBSNWIYKAINSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3S/c1-7-5-12-17-9(10-4-3-8(2)20-10)6-11(13(14,15)16)19(12)18-7/h3-6H,1-2H3.
What are the key properties of 2-methyl-5-(5-methylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-methyl-5-(5-methylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 297.31 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 843719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).