N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C13H11F3N6O2 — CID 138008734

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nc(C(C)NC(=O)c2cc3nccc(C(F)(F)F)n3n2)no1
InChIInChI=1S/C13H11F3N6O2/c1-6(11-19-7(2)24-21-11)18-12(23)8-5-10-17-4-3-9(13(14,15)16)22(10)20-8/h3-6H,1-2H3,(H,18,23)
InChIKeyINIHPAFLDJCQCG-UHFFFAOYSA-N
MW340.27 g/mol
LogP1.93
Rot. Bonds3

About N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 138008734) has the molecular formula C13H11F3N6O2 and a molecular weight of 340.27 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID138008734
Molecular FormulaC13H11F3N6O2
Molecular Weight340.27 g/mol
Exact Mass340.09
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nc(C(C)NC(=O)c2cc3nccc(C(F)(F)F)n3n2)no1
InChIInChI=1S/C13H11F3N6O2/c1-6(11-19-7(2)24-21-11)18-12(23)8-5-10-17-4-3-9(13(14,15)16)22(10)20-8/h3-6H,1-2H3,(H,18,23)
InChIKeyINIHPAFLDJCQCG-UHFFFAOYSA-N
XLogP1.93
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 138008734) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1nc(C(C)NC(=O)c2cc3nccc(C(F)(F)F)n3n2)no1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is INIHPAFLDJCQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N6O2/c1-6(11-19-7(2)24-21-11)18-12(23)8-5-10-17-4-3-9(13(14,15)16)22(10)20-8/h3-6H,1-2H3,(H,18,23).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 340.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 138008734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).