2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine;2-chloro-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazine;2,6-dichloropyrazine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;iodoethane;4-methylaniline

C62H75BCl4F3IN18O2 — CID 157439348

About 2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine;2-chloro-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazine;2,6-dichloropyrazine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;iodoethane;4-methylaniline

2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine;2-chloro-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazine;2,6-dichloropyrazine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;iodoethane;4-methylaniline (PubChem CID 157439348) has the molecular formula C62H75BCl4F3IN18O2 and a molecular weight of 1440.93 g/mol. Its IUPAC name is 2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine;2-chloro-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazine;2,6-dichloropyrazine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;iodoethane;4-methylaniline.

Molecular Properties

• Compound Name: 2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine;2-chloro-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazine;2,6-dichloropyrazine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;iodoethane;4-methylaniline
• PubChem CID: 157439348
• Molecular Formula: C62H75BCl4F3IN18O2
• Molecular Weight: 1440.93 g/mol
• Exact Mass: 1438.42
• IUPAC Name: 2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine;2-chloro-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazine;2,6-dichloropyrazine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;iodoethane;4-methylaniline
• SMILES: CCI.CCn1nc(C)c(-c2cncc(Cl)n2)c1C.CCn1nc(C)c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)c1C.Cc1ccc(N)cc1.Cc1n[nH]c(C)c1-c1cncc(Cl)n1.Cc1n[nH]c(C)c1B1OC(C)(C)C(C)(C)O1.Clc1cncc(Cl)n1
• InChI: InChI=1S/C18H18F3N5.C11H19BN2O2.C11H13ClN4.C9H9ClN4.C7H9N.C4H2Cl2N2.C2H5I/c1-4-26-12(3)17(11(2)25-26)15-9-22-10-16(24-15)23-14-7-5-13(6-8-14)18(19,20)21;1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12;1-4-16-8(3)11(7(2)15-16)9-5-13-6-10(12)14-9;1-5-9(6(2)14-13-5)7-3-11-4-8(10)12-7;1-6-2-4-7(8)5-3-6;5-3-1-7-2-4(6)8-3;1-2-3/h5-10H,4H2,1-3H3,(H,23,24);1-6H3,(H,13,14);5-6H,4H2,1-3H3;3-4H,1-2H3,(H,13,14);2-5H,8H2,1H3;1-2H;2H2,1H3
• InChIKey: BRMDNMFDNXTAHU-UHFFFAOYSA-N
• XLogP: 15.63
• TPSA: 252.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1440.93
LogP ≤ 5	15.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine;2-chloro-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazine;2,6-dichloropyrazine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;iodoethane;4-methylaniline?

The IUPAC name of 2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine;2-chloro-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazine;2,6-dichloropyrazine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;iodoethane;4-methylaniline (CID 157439348) is 2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine;2-chloro-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazine;2,6-dichloropyrazine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;iodoethane;4-methylaniline.

What is the SMILES notation for 2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine;2-chloro-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazine;2,6-dichloropyrazine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;iodoethane;4-methylaniline?

The canonical SMILES for 2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine;2-chloro-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazine;2,6-dichloropyrazine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;iodoethane;4-methylaniline is CCI.CCn1nc(C)c(-c2cncc(Cl)n2)c1C.CCn1nc(C)c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)c1C.Cc1ccc(N)cc1.Cc1n[nH]c(C)c1-c1cncc(Cl)n1.Cc1n[nH]c(C)c1B1OC(C)(C)C(C)(C)O1.Clc1cncc(Cl)n1.

What is the InChIKey of 2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine;2-chloro-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazine;2,6-dichloropyrazine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;iodoethane;4-methylaniline?

The InChIKey is BRMDNMFDNXTAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5.C11H19BN2O2.C11H13ClN4.C9H9ClN4.C7H9N.C4H2Cl2N2.C2H5I/c1-4-26-12(3)17(11(2)25-26)15-9-22-10-16(24-15)23-14-7-5-13(6-8-14)18(19,20)21;1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12;1-4-16-8(3)11(7(2)15-16)9-5-13-6-10(12)14-9;1-5-9(6(2)14-13-5)7-3-11-4-8(10)12-7;1-6-2-4-7(8)5-3-6;5-3-1-7-2-4(6)8-3;1-2-3/h5-10H,4H2,1-3H3,(H,23,24);1-6H3,(H,13,14);5-6H,4H2,1-3H3;3-4H,1-2H3,(H,13,14);2-5H,8H2,1H3;1-2H;2H2,1H3.

What are the key properties of 2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine;2-chloro-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazine;2,6-dichloropyrazine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;iodoethane;4-methylaniline?

2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine;2-chloro-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazine;2,6-dichloropyrazine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;iodoethane;4-methylaniline has a molecular weight of 1440.93 g/mol, XLogP of 15.63, 8 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine;2-chloro-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazine;2,6-dichloropyrazine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;iodoethane;4-methylaniline is sourced from PubChem (CID 157439348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).