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

C14H12F3N3S — CID 843827

IUPAC5-(5-ethylthiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1ccc(-c2cc(C(F)(F)F)n3nc(C)cc3n2)s1
InChIInChI=1S/C14H12F3N3S/c1-3-9-4-5-11(21-9)10-7-12(14(15,16)17)20-13(18-10)6-8(2)19-20/h4-7H,3H2,1-2H3
InChIKeyUJSMFAANBHFDJG-UHFFFAOYSA-N
MW311.33 g/mol
LogP4.35
Rot. Bonds2

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

5-(5-ethylthiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 843827) has the molecular formula C14H12F3N3S and a molecular weight of 311.33 g/mol. Its IUPAC name is 5-(5-ethylthiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(5-ethylthiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID843827
Molecular FormulaC14H12F3N3S
Molecular Weight311.33 g/mol
Exact Mass311.07
IUPAC Name5-(5-ethylthiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1ccc(-c2cc(C(F)(F)F)n3nc(C)cc3n2)s1
InChIInChI=1S/C14H12F3N3S/c1-3-9-4-5-11(21-9)10-7-12(14(15,16)17)20-13(18-10)6-8(2)19-20/h4-7H,3H2,1-2H3
InChIKeyUJSMFAANBHFDJG-UHFFFAOYSA-N
XLogP4.35
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylthiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(5-ethylthiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 843827) is 5-(5-ethylthiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(5-ethylthiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(5-ethylthiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is CCc1ccc(-c2cc(C(F)(F)F)n3nc(C)cc3n2)s1.
What is the InChIKey of 5-(5-ethylthiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is UJSMFAANBHFDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3S/c1-3-9-4-5-11(21-9)10-7-12(14(15,16)17)20-13(18-10)6-8(2)19-20/h4-7H,3H2,1-2H3.
What are the key properties of 5-(5-ethylthiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-(5-ethylthiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 311.33 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylthiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 843827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).