methyl 5,6-dichloro-3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyrazine-2-carboxylate

C17H9Cl3F3N5O3 — CID 87446241

IUPACmethyl 5,6-dichloro-3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(Cl)nc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C17H9Cl3F3N5O3/c1-31-16(30)10-14(26-13(20)12(19)25-10)27-15(29)9-6-24-28(11(9)17(21,22)23)8-4-2-7(18)3-5-8/h2-6H,1H3,(H,26,27,29)
InChIKeyXGTCAMSGTBIEGO-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.68
Rot. Bonds4

About methyl 5,6-dichloro-3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyrazine-2-carboxylate

methyl 5,6-dichloro-3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyrazine-2-carboxylate (PubChem CID 87446241) has the molecular formula C17H9Cl3F3N5O3 and a molecular weight of 494.64 g/mol. Its IUPAC name is methyl 5,6-dichloro-3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-dichloro-3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyrazine-2-carboxylate
PubChem CID87446241
Molecular FormulaC17H9Cl3F3N5O3
Molecular Weight494.64 g/mol
Exact Mass492.97
IUPAC Namemethyl 5,6-dichloro-3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(Cl)nc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C17H9Cl3F3N5O3/c1-31-16(30)10-14(26-13(20)12(19)25-10)27-15(29)9-6-24-28(11(9)17(21,22)23)8-4-2-7(18)3-5-8/h2-6H,1H3,(H,26,27,29)
InChIKeyXGTCAMSGTBIEGO-UHFFFAOYSA-N
XLogP4.68
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5,6-dichloro-3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyrazine-2-carboxylate 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 methyl 5,6-dichloro-3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5,6-dichloro-3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyrazine-2-carboxylate (CID 87446241) is methyl 5,6-dichloro-3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5,6-dichloro-3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5,6-dichloro-3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyrazine-2-carboxylate is COC(=O)c1nc(Cl)c(Cl)nc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F.
What is the InChIKey of methyl 5,6-dichloro-3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyrazine-2-carboxylate?
The InChIKey is XGTCAMSGTBIEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl3F3N5O3/c1-31-16(30)10-14(26-13(20)12(19)25-10)27-15(29)9-6-24-28(11(9)17(21,22)23)8-4-2-7(18)3-5-8/h2-6H,1H3,(H,26,27,29).
What are the key properties of methyl 5,6-dichloro-3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyrazine-2-carboxylate?
methyl 5,6-dichloro-3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyrazine-2-carboxylate has a molecular weight of 494.64 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-dichloro-3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyrazine-2-carboxylate is sourced from PubChem (CID 87446241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).