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

C14H13F3N6O2 — CID 75435920

IUPACN,5,7-trimethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)N(C)Cc3nc(C(F)(F)F)no3)c2n1
InChIInChI=1S/C14H13F3N6O2/c1-7-4-8(2)23-11(19-7)9(5-18-23)12(24)22(3)6-10-20-13(21-25-10)14(15,16)17/h4-5H,6H2,1-3H3
InChIKeyLEAFXENPCAPPDJ-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.02
Rot. Bonds3

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

N,5,7-trimethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 75435920) has the molecular formula C14H13F3N6O2 and a molecular weight of 354.29 g/mol. Its IUPAC name is N,5,7-trimethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,5,7-trimethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID75435920
Molecular FormulaC14H13F3N6O2
Molecular Weight354.29 g/mol
Exact Mass354.11
IUPAC NameN,5,7-trimethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)N(C)Cc3nc(C(F)(F)F)no3)c2n1
InChIInChI=1S/C14H13F3N6O2/c1-7-4-8(2)23-11(19-7)9(5-18-23)12(24)22(3)6-10-20-13(21-25-10)14(15,16)17/h4-5H,6H2,1-3H3
InChIKeyLEAFXENPCAPPDJ-UHFFFAOYSA-N
XLogP2.02
TPSA89.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,5,7-trimethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N,5,7-trimethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 75435920) is N,5,7-trimethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,5,7-trimethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,5,7-trimethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)N(C)Cc3nc(C(F)(F)F)no3)c2n1.
What is the InChIKey of N,5,7-trimethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LEAFXENPCAPPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N6O2/c1-7-4-8(2)23-11(19-7)9(5-18-23)12(24)22(3)6-10-20-13(21-25-10)14(15,16)17/h4-5H,6H2,1-3H3.
What are the key properties of N,5,7-trimethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N,5,7-trimethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 354.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,7-trimethyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 75435920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).