6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

C27H23F3N6O3 — CID 24890312

IUPAC6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCc1c(-c2ccnn2-c2ccc(C#N)cc2)nc(C(=O)NC(C)(C)CO)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H23F3N6O3/c1-16-22(21-11-12-32-36(21)19-9-7-17(14-31)8-10-19)33-23(24(38)34-26(2,3)15-37)25(39)35(16)20-6-4-5-18(13-20)27(28,29)30/h4-13,37H,15H2,1-3H3,(H,34,38)
InChIKeyLCUYXVNEQVXZIJ-UHFFFAOYSA-N
MW536.51 g/mol
LogP3.78
Rot. Bonds6

About 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 24890312) has the molecular formula C27H23F3N6O3 and a molecular weight of 536.51 g/mol. Its IUPAC name is 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID24890312
Molecular FormulaC27H23F3N6O3
Molecular Weight536.51 g/mol
Exact Mass536.18
IUPAC Name6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCc1c(-c2ccnn2-c2ccc(C#N)cc2)nc(C(=O)NC(C)(C)CO)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H23F3N6O3/c1-16-22(21-11-12-32-36(21)19-9-7-17(14-31)8-10-19)33-23(24(38)34-26(2,3)15-37)25(39)35(16)20-6-4-5-18(13-20)27(28,29)30/h4-13,37H,15H2,1-3H3,(H,34,38)
InChIKeyLCUYXVNEQVXZIJ-UHFFFAOYSA-N
XLogP3.78
TPSA125.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.51
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 24890312) is 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-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]-N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is Cc1c(-c2ccnn2-c2ccc(C#N)cc2)nc(C(=O)NC(C)(C)CO)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is LCUYXVNEQVXZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N6O3/c1-16-22(21-11-12-32-36(21)19-9-7-17(14-31)8-10-19)33-23(24(38)34-26(2,3)15-37)25(39)35(16)20-6-4-5-18(13-20)27(28,29)30/h4-13,37H,15H2,1-3H3,(H,34,38).
What are the key properties of 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 536.51 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 24890312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).