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

C12H8F3N3S — CID 2387196

IUPAC2-methyl-7-thiophen-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(C(F)(F)F)cc(-c3cccs3)n2n1
InChIInChI=1S/C12H8F3N3S/c1-7-5-11-16-10(12(13,14)15)6-8(18(11)17-7)9-3-2-4-19-9/h2-6H,1H3
InChIKeyBFIDTCISHMJXOR-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.79
Rot. Bonds1

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

2-methyl-7-thiophen-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 2387196) has the molecular formula C12H8F3N3S and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-methyl-7-thiophen-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-7-thiophen-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID2387196
Molecular FormulaC12H8F3N3S
Molecular Weight283.28 g/mol
Exact Mass283.04
IUPAC Name2-methyl-7-thiophen-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(C(F)(F)F)cc(-c3cccs3)n2n1
InChIInChI=1S/C12H8F3N3S/c1-7-5-11-16-10(12(13,14)15)6-8(18(11)17-7)9-3-2-4-19-9/h2-6H,1H3
InChIKeyBFIDTCISHMJXOR-UHFFFAOYSA-N
XLogP3.79
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Dimethyl-6-(2-thienyl)-4-(trifluoromethyl)-1H-pyrazolo(3,4-B)pyridine
CID 2164249
7-(Thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 900945
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
3-(4-Fluorophenyl)-7-(2-thienyl)pyrazolo[1,5-a]pyrimidine
CID 1472857
Thiophen-2-ylmethyl-(5-trifluoromethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-amine
CID 3227215
3-[(5-Methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 3229955
2-(4-methyl-1H-pyrazol-1-yl)-4-thien-2-yl-6-(trifluoromethyl)pyrimidine
CID 3245539
5-methyl-2-[3-(1H-pyrrol-1-yl)-2-thienyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 3259062
Sdccgsbi-0661879.P001
CID 3301646

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-thiophen-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-7-thiophen-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 2387196) is 2-methyl-7-thiophen-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-7-thiophen-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-7-thiophen-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc2nc(C(F)(F)F)cc(-c3cccs3)n2n1.
What is the InChIKey of 2-methyl-7-thiophen-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is BFIDTCISHMJXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3S/c1-7-5-11-16-10(12(13,14)15)6-8(18(11)17-7)9-3-2-4-19-9/h2-6H,1H3.
What are the key properties of 2-methyl-7-thiophen-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-methyl-7-thiophen-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 283.28 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-thiophen-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2387196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).