N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2,1,3-benzothiadiazole-5-carboxamide

C14H7F3N6OS — CID 91629093

IUPACN-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(Nc1cnc2cc(C(F)(F)F)nn2c1)c1ccc2nsnc2c1
InChIInChI=1S/C14H7F3N6OS/c15-14(16,17)11-4-12-18-5-8(6-23(12)20-11)19-13(24)7-1-2-9-10(3-7)22-25-21-9/h1-6H,(H,19,24)
InChIKeyUMZJMFDUGHTJML-UHFFFAOYSA-N
MW364.31 g/mol
LogP3.01
Rot. Bonds2

About N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2,1,3-benzothiadiazole-5-carboxamide

N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 91629093) has the molecular formula C14H7F3N6OS and a molecular weight of 364.31 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID91629093
Molecular FormulaC14H7F3N6OS
Molecular Weight364.31 g/mol
Exact Mass364.04
IUPAC NameN-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(Nc1cnc2cc(C(F)(F)F)nn2c1)c1ccc2nsnc2c1
InChIInChI=1S/C14H7F3N6OS/c15-14(16,17)11-4-12-18-5-8(6-23(12)20-11)19-13(24)7-1-2-9-10(3-7)22-25-21-9/h1-6H,(H,19,24)
InChIKeyUMZJMFDUGHTJML-UHFFFAOYSA-N
XLogP3.01
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2,1,3-benzothiadiazole-5-carboxamide (CID 91629093) is N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2,1,3-benzothiadiazole-5-carboxamide is O=C(Nc1cnc2cc(C(F)(F)F)nn2c1)c1ccc2nsnc2c1.
What is the InChIKey of N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is UMZJMFDUGHTJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N6OS/c15-14(16,17)11-4-12-18-5-8(6-23(12)20-11)19-13(24)7-1-2-9-10(3-7)22-25-21-9/h1-6H,(H,19,24).
What are the key properties of N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2,1,3-benzothiadiazole-5-carboxamide?
N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 364.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 91629093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).