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

C12H7ClF3N3S — CID 843879

IUPAC5-(5-chlorothiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C12H7ClF3N3S/c1-6-4-11-17-7(8-2-3-10(13)20-8)5-9(12(14,15)16)19(11)18-6/h2-5H,1H3
InChIKeyASNSMXBMJHRYOZ-UHFFFAOYSA-N
MW317.72 g/mol
LogP4.44
Rot. Bonds1

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

5-(5-chlorothiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 843879) has the molecular formula C12H7ClF3N3S and a molecular weight of 317.72 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID843879
Molecular FormulaC12H7ClF3N3S
Molecular Weight317.72 g/mol
Exact Mass317.00
IUPAC Name5-(5-chlorothiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C12H7ClF3N3S/c1-6-4-11-17-7(8-2-3-10(13)20-8)5-9(12(14,15)16)19(11)18-6/h2-5H,1H3
InChIKeyASNSMXBMJHRYOZ-UHFFFAOYSA-N
XLogP4.44
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.72
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 843879) is 5-(5-chlorothiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is ASNSMXBMJHRYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N3S/c1-6-4-11-17-7(8-2-3-10(13)20-8)5-9(12(14,15)16)19(11)18-6/h2-5H,1H3.
What are the key properties of 5-(5-chlorothiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-(5-chlorothiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 317.72 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 843879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).