6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

C24H17F3N6O2 — CID 24890140

IUPAC6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2ccnn2-c2ccc(C#N)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C24H17F3N6O2/c1-14-20(19-10-11-30-33(19)17-8-6-15(13-28)7-9-17)31-21(22(34)29-2)23(35)32(14)18-5-3-4-16(12-18)24(25,26)27/h3-12H,1-2H3,(H,29,34)
InChIKeyCZXQVSBHQWORIR-UHFFFAOYSA-N
MW478.43 g/mol
LogP3.64
Rot. Bonds4

About 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 24890140) has the molecular formula C24H17F3N6O2 and a molecular weight of 478.43 g/mol. Its IUPAC name is 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID24890140
Molecular FormulaC24H17F3N6O2
Molecular Weight478.43 g/mol
Exact Mass478.14
IUPAC Name6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2ccnn2-c2ccc(C#N)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C24H17F3N6O2/c1-14-20(19-10-11-30-33(19)17-8-6-15(13-28)7-9-17)31-21(22(34)29-2)23(35)32(14)18-5-3-4-16(12-18)24(25,26)27/h3-12H,1-2H3,(H,29,34)
InChIKeyCZXQVSBHQWORIR-UHFFFAOYSA-N
XLogP3.64
TPSA105.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 24890140) is 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is CNC(=O)c1nc(-c2ccnn2-c2ccc(C#N)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is CZXQVSBHQWORIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N6O2/c1-14-20(19-10-11-30-33(19)17-8-6-15(13-28)7-9-17)31-21(22(34)29-2)23(35)32(14)18-5-3-4-16(12-18)24(25,26)27/h3-12H,1-2H3,(H,29,34).
What are the key properties of 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 478.43 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 24890140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).