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

C12H7BrF3N3S — CID 1489125

IUPAC3-bromo-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br
InChIInChI=1S/C12H7BrF3N3S/c1-6-10(13)11-17-7(8-3-2-4-20-8)5-9(12(14,15)16)19(11)18-6/h2-5H,1H3
InChIKeyZXDFICLWNXZJTN-UHFFFAOYSA-N
MW362.17 g/mol
LogP4.55
Rot. Bonds1

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

3-bromo-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 1489125) has the molecular formula C12H7BrF3N3S and a molecular weight of 362.17 g/mol. Its IUPAC name is 3-bromo-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID1489125
Molecular FormulaC12H7BrF3N3S
Molecular Weight362.17 g/mol
Exact Mass360.95
IUPAC Name3-bromo-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br
InChIInChI=1S/C12H7BrF3N3S/c1-6-10(13)11-17-7(8-3-2-4-20-8)5-9(12(14,15)16)19(11)18-6/h2-5H,1H3
InChIKeyZXDFICLWNXZJTN-UHFFFAOYSA-N
XLogP4.55
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 1489125) is 3-bromo-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br.
What is the InChIKey of 3-bromo-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is ZXDFICLWNXZJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3N3S/c1-6-10(13)11-17-7(8-3-2-4-20-8)5-9(12(14,15)16)19(11)18-6/h2-5H,1H3.
What are the key properties of 3-bromo-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-bromo-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 362.17 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1489125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).