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

C12H7F3N4OS — CID 91629086

IUPACN-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]thiophene-3-carboxamide
SMILESO=C(Nc1cnc2cc(C(F)(F)F)nn2c1)c1ccsc1
InChIInChI=1S/C12H7F3N4OS/c13-12(14,15)9-3-10-16-4-8(5-19(10)18-9)17-11(20)7-1-2-21-6-7/h1-6H,(H,17,20)
InChIKeyCUIWYYXXTQONOB-UHFFFAOYSA-N
MW312.28 g/mol
LogP3.06
Rot. Bonds2

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

N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]thiophene-3-carboxamide (PubChem CID 91629086) has the molecular formula C12H7F3N4OS and a molecular weight of 312.28 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]thiophene-3-carboxamide
PubChem CID91629086
Molecular FormulaC12H7F3N4OS
Molecular Weight312.28 g/mol
Exact Mass312.03
IUPAC NameN-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]thiophene-3-carboxamide
SMILESO=C(Nc1cnc2cc(C(F)(F)F)nn2c1)c1ccsc1
InChIInChI=1S/C12H7F3N4OS/c13-12(14,15)9-3-10-16-4-8(5-19(10)18-9)17-11(20)7-1-2-21-6-7/h1-6H,(H,17,20)
InChIKeyCUIWYYXXTQONOB-UHFFFAOYSA-N
XLogP3.06
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]thiophene-3-carboxamide (CID 91629086) is N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]thiophene-3-carboxamide is O=C(Nc1cnc2cc(C(F)(F)F)nn2c1)c1ccsc1.
What is the InChIKey of N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]thiophene-3-carboxamide?
The InChIKey is CUIWYYXXTQONOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4OS/c13-12(14,15)9-3-10-16-4-8(5-19(10)18-9)17-11(20)7-1-2-21-6-7/h1-6H,(H,17,20).
What are the key properties of N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]thiophene-3-carboxamide?
N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]thiophene-3-carboxamide has a molecular weight of 312.28 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]thiophene-3-carboxamide is sourced from PubChem (CID 91629086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).