1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine;2-[2-(difluoromethyl)-4-propan-2-ylphenyl]triazole;methyl 3-methyl-5-propan-2-ylbenzoate;2-(3-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;2-(5-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;5-propan-2-yl-2-(triazol-2-yl)benzonitrile;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2-[4-propan-2-yl-2-(trifluoromethyl)phenyl]triazole

C140H153Cl4F8N29O2 — CID 160742936

IUPAC1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine;2-[2-(difluoromethyl)-4-propan-2-ylphenyl]triazole;methyl 3-methyl-5-propan-2-ylbenzoate;2-(3-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;2-(5-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;5-propan-2-yl-2-(triazol-2-yl)benzonitrile;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2-[4-propan-2-yl-2-(trifluoromethyl)phenyl]triazole
SMILESCC(C)c1ccc(-c2cnccn2)c(Cl)c1.CC(C)c1ccc(-c2ncccn2)c(Cl)c1.CC(C)c1ccc(-n2cccn2)c(C(F)(F)F)c1.CC(C)c1ccc(-n2nccn2)c(C#N)c1.CC(C)c1ccc(-n2nccn2)c(C(F)(F)F)c1.CC(C)c1ccc(-n2nccn2)c(C(F)F)c1.CCc1cc(C)n(-c2ccc(C(C)C)cc2Cl)n1.COC(=O)c1cc(C)cc(C(C)C)c1.Cc1ncn(-c2ccc(C(C)C)cc2C#N)n1.Cc1ncnn1-c1ccc(C(C)C)cc1C#N.Cc1ncnn1-c1ccc(C(C)C)cc1Cl
InChIInChI=1S/C15H19ClN2.2C13H13ClN2.C13H13F3N2.2C13H14N4.C12H14ClN3.C12H12F3N3.C12H13F2N3.C12H12N4.C12H16O2/c1-5-13-8-11(4)18(17-13)15-7-6-12(10(2)3)9-14(15)16;1-9(2)10-4-5-11(12(14)8-10)13-15-6-3-7-16-13;1-9(2)10-3-4-11(12(14)7-10)13-8-15-5-6-16-13;1-9(2)10-4-5-12(18-7-3-6-17-18)11(8-10)13(14,15)16;1-9(2)11-4-5-13(12(6-11)7-14)17-8-15-10(3)16-17;1-9(2)11-4-5-13(12(6-11)7-14)17-10(3)15-8-16-17;1-8(2)10-4-5-12(11(13)6-10)16-9(3)14-7-15-16;1-8(2)9-3-4-11(18-16-5-6-17-18)10(7-9)12(13,14)15;1-8(2)9-3-4-11(10(7-9)12(13)14)17-15-5-6-16-17;1-9(2)10-3-4-12(11(7-10)8-13)16-14-5-6-15-16;1-8(2)10-5-9(3)6-11(7-10)12(13)14-4/h6-10H,5H2,1-4H3;2*3-9H,1-2H3;3-9H,1-2H3;2*4-6,8-9H,1-3H3;4-8H,1-3H3;3-8H,1-2H3;3-8,12H,1-2H3;3-7,9H,1-2H3;5-8H,1-4H3
InChIKeyRVVCDNDZOSDYKI-UHFFFAOYSA-N
MW2567.76 g/mol
LogP36.77
Rot. Bonds24

About 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine;2-[2-(difluoromethyl)-4-propan-2-ylphenyl]triazole;methyl 3-methyl-5-propan-2-ylbenzoate;2-(3-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;2-(5-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;5-propan-2-yl-2-(triazol-2-yl)benzonitrile;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2-[4-propan-2-yl-2-(trifluoromethyl)phenyl]triazole

1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine;2-[2-(difluoromethyl)-4-propan-2-ylphenyl]triazole;methyl 3-methyl-5-propan-2-ylbenzoate;2-(3-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;2-(5-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;5-propan-2-yl-2-(triazol-2-yl)benzonitrile;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2-[4-propan-2-yl-2-(trifluoromethyl)phenyl]triazole (PubChem CID 160742936) has the molecular formula C140H153Cl4F8N29O2 and a molecular weight of 2567.76 g/mol. Its IUPAC name is 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine;2-[2-(difluoromethyl)-4-propan-2-ylphenyl]triazole;methyl 3-methyl-5-propan-2-ylbenzoate;2-(3-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;2-(5-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;5-propan-2-yl-2-(triazol-2-yl)benzonitrile;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2-[4-propan-2-yl-2-(trifluoromethyl)phenyl]triazole.

Molecular Properties

Compound Name1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine;2-[2-(difluoromethyl)-4-propan-2-ylphenyl]triazole;methyl 3-methyl-5-propan-2-ylbenzoate;2-(3-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;2-(5-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;5-propan-2-yl-2-(triazol-2-yl)benzonitrile;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2-[4-propan-2-yl-2-(trifluoromethyl)phenyl]triazole
PubChem CID160742936
Molecular FormulaC140H153Cl4F8N29O2
Molecular Weight2567.76 g/mol
Exact Mass2564.14
IUPAC Name1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine;2-[2-(difluoromethyl)-4-propan-2-ylphenyl]triazole;methyl 3-methyl-5-propan-2-ylbenzoate;2-(3-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;2-(5-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;5-propan-2-yl-2-(triazol-2-yl)benzonitrile;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2-[4-propan-2-yl-2-(trifluoromethyl)phenyl]triazole
SMILESCC(C)c1ccc(-c2cnccn2)c(Cl)c1.CC(C)c1ccc(-c2ncccn2)c(Cl)c1.CC(C)c1ccc(-n2cccn2)c(C(F)(F)F)c1.CC(C)c1ccc(-n2nccn2)c(C#N)c1.CC(C)c1ccc(-n2nccn2)c(C(F)(F)F)c1.CC(C)c1ccc(-n2nccn2)c(C(F)F)c1.CCc1cc(C)n(-c2ccc(C(C)C)cc2Cl)n1.COC(=O)c1cc(C)cc(C(C)C)c1.Cc1ncn(-c2ccc(C(C)C)cc2C#N)n1.Cc1ncnn1-c1ccc(C(C)C)cc1C#N.Cc1ncnn1-c1ccc(C(C)C)cc1Cl
InChIInChI=1S/C15H19ClN2.2C13H13ClN2.C13H13F3N2.2C13H14N4.C12H14ClN3.C12H12F3N3.C12H13F2N3.C12H12N4.C12H16O2/c1-5-13-8-11(4)18(17-13)15-7-6-12(10(2)3)9-14(15)16;1-9(2)10-4-5-11(12(14)8-10)13-15-6-3-7-16-13;1-9(2)10-3-4-11(12(14)7-10)13-8-15-5-6-16-13;1-9(2)10-4-5-12(18-7-3-6-17-18)11(8-10)13(14,15)16;1-9(2)11-4-5-13(12(6-11)7-14)17-8-15-10(3)16-17;1-9(2)11-4-5-13(12(6-11)7-14)17-10(3)15-8-16-17;1-8(2)10-4-5-12(11(13)6-10)16-9(3)14-7-15-16;1-8(2)9-3-4-11(18-16-5-6-17-18)10(7-9)12(13,14)15;1-8(2)9-3-4-11(10(7-9)12(13)14)17-15-5-6-16-17;1-9(2)10-3-4-12(11(7-10)8-13)16-14-5-6-15-16;1-8(2)10-5-9(3)6-11(7-10)12(13)14-4/h6-10H,5H2,1-4H3;2*3-9H,1-2H3;3-9H,1-2H3;2*4-6,8-9H,1-3H3;4-8H,1-3H3;3-8H,1-2H3;3-8,12H,1-2H3;3-7,9H,1-2H3;5-8H,1-4H3
InChIKeyRVVCDNDZOSDYKI-UHFFFAOYSA-N
XLogP36.77
TPSA369.13 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms183
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002567.76
LogP ≤ 536.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine;2-[2-(difluoromethyl)-4-propan-2-ylphenyl]triazole;methyl 3-methyl-5-propan-2-ylbenzoate;2-(3-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;2-(5-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;5-propan-2-yl-2-(triazol-2-yl)benzonitrile;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2-[4-propan-2-yl-2-(trifluoromethyl)phenyl]triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine;2-[2-(difluoromethyl)-4-propan-2-ylphenyl]triazole;methyl 3-methyl-5-propan-2-ylbenzoate;2-(3-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;2-(5-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;5-propan-2-yl-2-(triazol-2-yl)benzonitrile;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2-[4-propan-2-yl-2-(trifluoromethyl)phenyl]triazole?
The IUPAC name of 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine;2-[2-(difluoromethyl)-4-propan-2-ylphenyl]triazole;methyl 3-methyl-5-propan-2-ylbenzoate;2-(3-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;2-(5-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;5-propan-2-yl-2-(triazol-2-yl)benzonitrile;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2-[4-propan-2-yl-2-(trifluoromethyl)phenyl]triazole (CID 160742936) is 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine;2-[2-(difluoromethyl)-4-propan-2-ylphenyl]triazole;methyl 3-methyl-5-propan-2-ylbenzoate;2-(3-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;2-(5-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;5-propan-2-yl-2-(triazol-2-yl)benzonitrile;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2-[4-propan-2-yl-2-(trifluoromethyl)phenyl]triazole.
What is the SMILES notation for 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine;2-[2-(difluoromethyl)-4-propan-2-ylphenyl]triazole;methyl 3-methyl-5-propan-2-ylbenzoate;2-(3-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;2-(5-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;5-propan-2-yl-2-(triazol-2-yl)benzonitrile;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2-[4-propan-2-yl-2-(trifluoromethyl)phenyl]triazole?
The canonical SMILES for 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine;2-[2-(difluoromethyl)-4-propan-2-ylphenyl]triazole;methyl 3-methyl-5-propan-2-ylbenzoate;2-(3-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;2-(5-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;5-propan-2-yl-2-(triazol-2-yl)benzonitrile;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2-[4-propan-2-yl-2-(trifluoromethyl)phenyl]triazole is CC(C)c1ccc(-c2cnccn2)c(Cl)c1.CC(C)c1ccc(-c2ncccn2)c(Cl)c1.CC(C)c1ccc(-n2cccn2)c(C(F)(F)F)c1.CC(C)c1ccc(-n2nccn2)c(C#N)c1.CC(C)c1ccc(-n2nccn2)c(C(F)(F)F)c1.CC(C)c1ccc(-n2nccn2)c(C(F)F)c1.CCc1cc(C)n(-c2ccc(C(C)C)cc2Cl)n1.COC(=O)c1cc(C)cc(C(C)C)c1.Cc1ncn(-c2ccc(C(C)C)cc2C#N)n1.Cc1ncnn1-c1ccc(C(C)C)cc1C#N.Cc1ncnn1-c1ccc(C(C)C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine;2-[2-(difluoromethyl)-4-propan-2-ylphenyl]triazole;methyl 3-methyl-5-propan-2-ylbenzoate;2-(3-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;2-(5-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;5-propan-2-yl-2-(triazol-2-yl)benzonitrile;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2-[4-propan-2-yl-2-(trifluoromethyl)phenyl]triazole?
The InChIKey is RVVCDNDZOSDYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2.2C13H13ClN2.C13H13F3N2.2C13H14N4.C12H14ClN3.C12H12F3N3.C12H13F2N3.C12H12N4.C12H16O2/c1-5-13-8-11(4)18(17-13)15-7-6-12(10(2)3)9-14(15)16;1-9(2)10-4-5-11(12(14)8-10)13-15-6-3-7-16-13;1-9(2)10-3-4-11(12(14)7-10)13-8-15-5-6-16-13;1-9(2)10-4-5-12(18-7-3-6-17-18)11(8-10)13(14,15)16;1-9(2)11-4-5-13(12(6-11)7-14)17-8-15-10(3)16-17;1-9(2)11-4-5-13(12(6-11)7-14)17-10(3)15-8-16-17;1-8(2)10-4-5-12(11(13)6-10)16-9(3)14-7-15-16;1-8(2)9-3-4-11(18-16-5-6-17-18)10(7-9)12(13,14)15;1-8(2)9-3-4-11(10(7-9)12(13)14)17-15-5-6-16-17;1-9(2)10-3-4-12(11(7-10)8-13)16-14-5-6-15-16;1-8(2)10-5-9(3)6-11(7-10)12(13)14-4/h6-10H,5H2,1-4H3;2*3-9H,1-2H3;3-9H,1-2H3;2*4-6,8-9H,1-3H3;4-8H,1-3H3;3-8H,1-2H3;3-8,12H,1-2H3;3-7,9H,1-2H3;5-8H,1-4H3.
What are the key properties of 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine;2-[2-(difluoromethyl)-4-propan-2-ylphenyl]triazole;methyl 3-methyl-5-propan-2-ylbenzoate;2-(3-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;2-(5-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;5-propan-2-yl-2-(triazol-2-yl)benzonitrile;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2-[4-propan-2-yl-2-(trifluoromethyl)phenyl]triazole?
1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine;2-[2-(difluoromethyl)-4-propan-2-ylphenyl]triazole;methyl 3-methyl-5-propan-2-ylbenzoate;2-(3-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;2-(5-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;5-propan-2-yl-2-(triazol-2-yl)benzonitrile;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2-[4-propan-2-yl-2-(trifluoromethyl)phenyl]triazole has a molecular weight of 2567.76 g/mol, XLogP of 36.77, 24 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine;2-[2-(difluoromethyl)-4-propan-2-ylphenyl]triazole;methyl 3-methyl-5-propan-2-ylbenzoate;2-(3-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;2-(5-methyl-1,2,4-triazol-1-yl)-5-propan-2-ylbenzonitrile;5-propan-2-yl-2-(triazol-2-yl)benzonitrile;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;2-[4-propan-2-yl-2-(trifluoromethyl)phenyl]triazole is sourced from PubChem (CID 160742936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).