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

C25H19F3N6O2 — CID 24890313

IUPAC6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,N,5-trimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCc1c(-c2ccnn2-c2ccc(C#N)cc2)nc(C(=O)N(C)C)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H19F3N6O2/c1-15-21(20-11-12-30-34(20)18-9-7-16(14-29)8-10-18)31-22(23(35)32(2)3)24(36)33(15)19-6-4-5-17(13-19)25(26,27)28/h4-13H,1-3H3
InChIKeyTVMRPCPJKYZXFG-UHFFFAOYSA-N
MW492.46 g/mol
LogP3.99
Rot. Bonds4

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

6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,N,5-trimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 24890313) has the molecular formula C25H19F3N6O2 and a molecular weight of 492.46 g/mol. Its IUPAC name is 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,N,5-trimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,N,5-trimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID24890313
Molecular FormulaC25H19F3N6O2
Molecular Weight492.46 g/mol
Exact Mass492.15
IUPAC Name6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,N,5-trimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCc1c(-c2ccnn2-c2ccc(C#N)cc2)nc(C(=O)N(C)C)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H19F3N6O2/c1-15-21(20-11-12-30-34(20)18-9-7-16(14-29)8-10-18)31-22(23(35)32(2)3)24(36)33(15)19-6-4-5-17(13-19)25(26,27)28/h4-13H,1-3H3
InChIKeyTVMRPCPJKYZXFG-UHFFFAOYSA-N
XLogP3.99
TPSA96.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,N,5-trimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,N,5-trimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 24890313) is 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,N,5-trimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,N,5-trimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,N,5-trimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is Cc1c(-c2ccnn2-c2ccc(C#N)cc2)nc(C(=O)N(C)C)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,N,5-trimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is TVMRPCPJKYZXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O2/c1-15-21(20-11-12-30-34(20)18-9-7-16(14-29)8-10-18)31-22(23(35)32(2)3)24(36)33(15)19-6-4-5-17(13-19)25(26,27)28/h4-13H,1-3H3.
What are the key properties of 6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,N,5-trimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
6-[2-(4-cyanophenyl)pyrazol-3-yl]-N,N,5-trimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 492.46 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 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,N,5-trimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 24890313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).