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

C23H15F3N6O2 — CID 68752099

IUPAC6-[2-(4-cyanophenyl)pyrazol-3-yl]-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCc1c(-c2ccnn2-c2ccc(C#N)cc2)nc(C(N)=O)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H15F3N6O2/c1-13-19(18-9-10-29-32(18)16-7-5-14(12-27)6-8-16)30-20(21(28)33)22(34)31(13)17-4-2-3-15(11-17)23(24,25)26/h2-11H,1H3,(H2,28,33)
InChIKeyIKJNJNORSFGSID-UHFFFAOYSA-N
MW464.41 g/mol
LogP3.38
Rot. Bonds4

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

6-[2-(4-cyanophenyl)pyrazol-3-yl]-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 68752099) has the molecular formula C23H15F3N6O2 and a molecular weight of 464.41 g/mol. Its IUPAC name is 6-[2-(4-cyanophenyl)pyrazol-3-yl]-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[2-(4-cyanophenyl)pyrazol-3-yl]-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID68752099
Molecular FormulaC23H15F3N6O2
Molecular Weight464.41 g/mol
Exact Mass464.12
IUPAC Name6-[2-(4-cyanophenyl)pyrazol-3-yl]-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCc1c(-c2ccnn2-c2ccc(C#N)cc2)nc(C(N)=O)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H15F3N6O2/c1-13-19(18-9-10-29-32(18)16-7-5-14(12-27)6-8-16)30-20(21(28)33)22(34)31(13)17-4-2-3-15(11-17)23(24,25)26/h2-11H,1H3,(H2,28,33)
InChIKeyIKJNJNORSFGSID-UHFFFAOYSA-N
XLogP3.38
TPSA119.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.41
LogP ≤ 53.38
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]-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 6-[2-(4-cyanophenyl)pyrazol-3-yl]-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 68752099) is 6-[2-(4-cyanophenyl)pyrazol-3-yl]-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[2-(4-cyanophenyl)pyrazol-3-yl]-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[2-(4-cyanophenyl)pyrazol-3-yl]-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is Cc1c(-c2ccnn2-c2ccc(C#N)cc2)nc(C(N)=O)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-[2-(4-cyanophenyl)pyrazol-3-yl]-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is IKJNJNORSFGSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N6O2/c1-13-19(18-9-10-29-32(18)16-7-5-14(12-27)6-8-16)30-20(21(28)33)22(34)31(13)17-4-2-3-15(11-17)23(24,25)26/h2-11H,1H3,(H2,28,33).
What are the key properties of 6-[2-(4-cyanophenyl)pyrazol-3-yl]-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
6-[2-(4-cyanophenyl)pyrazol-3-yl]-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 464.41 g/mol, XLogP of 3.38, 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]-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 68752099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).