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

C26H19F3N6O2 — CID 24890314

IUPAC6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCc1c(-c2ccnn2-c2ccc(C#N)cc2)nc(C(=O)NC2CC2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H19F3N6O2/c1-15-22(21-11-12-31-35(21)19-9-5-16(14-30)6-10-19)33-23(24(36)32-18-7-8-18)25(37)34(15)20-4-2-3-17(13-20)26(27,28)29/h2-6,9-13,18H,7-8H2,1H3,(H,32,36)
InChIKeyVXFVIAPZULVIFL-UHFFFAOYSA-N
MW504.47 g/mol
LogP4.18
Rot. Bonds5

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

6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 24890314) has the molecular formula C26H19F3N6O2 and a molecular weight of 504.47 g/mol. Its IUPAC name is 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID24890314
Molecular FormulaC26H19F3N6O2
Molecular Weight504.47 g/mol
Exact Mass504.15
IUPAC Name6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCc1c(-c2ccnn2-c2ccc(C#N)cc2)nc(C(=O)NC2CC2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H19F3N6O2/c1-15-22(21-11-12-31-35(21)19-9-5-16(14-30)6-10-19)33-23(24(36)32-18-7-8-18)25(37)34(15)20-4-2-3-17(13-20)26(27,28)29/h2-6,9-13,18H,7-8H2,1H3,(H,32,36)
InChIKeyVXFVIAPZULVIFL-UHFFFAOYSA-N
XLogP4.18
TPSA105.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.47
LogP ≤ 54.18
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-cyclopropyl-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 24890314) is 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is Cc1c(-c2ccnn2-c2ccc(C#N)cc2)nc(C(=O)NC2CC2)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is VXFVIAPZULVIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N6O2/c1-15-22(21-11-12-31-35(21)19-9-5-16(14-30)6-10-19)33-23(24(36)32-18-7-8-18)25(37)34(15)20-4-2-3-17(13-20)26(27,28)29/h2-6,9-13,18H,7-8H2,1H3,(H,32,36).
What are the key properties of 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 504.47 g/mol, XLogP of 4.18, 5 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-cyclopropyl-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 24890314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).