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

C16H11F3N4S — CID 3259062

IUPAC5-methyl-2-(3-pyrrol-1-ylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(-c3sccc3-n3cccc3)cc2n1
InChIInChI=1S/C16H11F3N4S/c1-10-8-13(16(17,18)19)23-14(20-10)9-11(21-23)15-12(4-7-24-15)22-5-2-3-6-22/h2-9H,1H3
InChIKeyWIUITDRRMMWTAN-UHFFFAOYSA-N
MW348.35 g/mol
LogP4.58
Rot. Bonds2

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

5-methyl-2-(3-pyrrol-1-ylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 3259062) has the molecular formula C16H11F3N4S and a molecular weight of 348.35 g/mol. Its IUPAC name is 5-methyl-2-(3-pyrrol-1-ylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-(3-pyrrol-1-ylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID3259062
Molecular FormulaC16H11F3N4S
Molecular Weight348.35 g/mol
Exact Mass348.07
IUPAC Name5-methyl-2-(3-pyrrol-1-ylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(-c3sccc3-n3cccc3)cc2n1
InChIInChI=1S/C16H11F3N4S/c1-10-8-13(16(17,18)19)23-14(20-10)9-11(21-23)15-12(4-7-24-15)22-5-2-3-6-22/h2-9H,1H3
InChIKeyWIUITDRRMMWTAN-UHFFFAOYSA-N
XLogP4.58
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-pyrrol-1-ylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-2-(3-pyrrol-1-ylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 3259062) is 5-methyl-2-(3-pyrrol-1-ylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-2-(3-pyrrol-1-ylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-2-(3-pyrrol-1-ylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(C(F)(F)F)n2nc(-c3sccc3-n3cccc3)cc2n1.
What is the InChIKey of 5-methyl-2-(3-pyrrol-1-ylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is WIUITDRRMMWTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4S/c1-10-8-13(16(17,18)19)23-14(20-10)9-11(21-23)15-12(4-7-24-15)22-5-2-3-6-22/h2-9H,1H3.
What are the key properties of 5-methyl-2-(3-pyrrol-1-ylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-methyl-2-(3-pyrrol-1-ylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 348.35 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-pyrrol-1-ylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3259062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).