1,4-dimethyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide

C15H12F3N5O2 — CID 43972328

IUPAC1,4-dimethyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide
SMILESCc1cn(C)nc1C(=O)Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C15H12F3N5O2/c1-8-7-23(2)22-11(8)12(24)19-14-21-20-13(25-14)9-3-5-10(6-4-9)15(16,17)18/h3-7H,1-2H3,(H,19,21,24)
InChIKeyOMVFAJRCSWEVKS-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.05
Rot. Bonds3

About 1,4-dimethyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide

1,4-dimethyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 43972328) has the molecular formula C15H12F3N5O2 and a molecular weight of 351.29 g/mol. Its IUPAC name is 1,4-dimethyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide
PubChem CID43972328
Molecular FormulaC15H12F3N5O2
Molecular Weight351.29 g/mol
Exact Mass351.09
IUPAC Name1,4-dimethyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide
SMILESCc1cn(C)nc1C(=O)Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C15H12F3N5O2/c1-8-7-23(2)22-11(8)12(24)19-14-21-20-13(25-14)9-3-5-10(6-4-9)15(16,17)18/h3-7H,1-2H3,(H,19,21,24)
InChIKeyOMVFAJRCSWEVKS-UHFFFAOYSA-N
XLogP3.05
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 1,4-dimethyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide (CID 43972328) is 1,4-dimethyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide is Cc1cn(C)nc1C(=O)Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 1,4-dimethyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is OMVFAJRCSWEVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O2/c1-8-7-23(2)22-11(8)12(24)19-14-21-20-13(25-14)9-3-5-10(6-4-9)15(16,17)18/h3-7H,1-2H3,(H,19,21,24).
What are the key properties of 1,4-dimethyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide?
1,4-dimethyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 351.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 43972328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).