4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxamide);1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxamide

C128H127Br2Cl10F8N33O3 — CID 158486441

IUPAC4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxamide);1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxamide
SMILESCC(C)c1c(-n2cc(-c3ccccc3)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(Br)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(F)F)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(N)=O)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(N)=O)nn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-n1cc(-c2ccccc2)nn1.CC(C)c1cc(Cl)ccc1-n1cc(Br)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C(N)=O)nn1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1
InChIInChI=1S/C17H15ClFN3.C17H16ClN3.C12H11ClF3N3.2C12H12ClFN4O.C12H13ClFN3.C12H13ClN4O.C12H14ClN3.C11H10BrClFN3.C11H11BrClN3/c1-11(2)16-15(9-8-13(18)17(16)19)22-10-14(20-21-22)12-6-4-3-5-7-12;1-12(2)15-10-14(18)8-9-17(15)21-11-16(19-20-21)13-6-4-3-5-7-13;1-6(2)10-9(4-3-7(13)11(10)14)19-5-8(12(15)16)17-18-19;2*1-6(2)10-9(4-3-7(13)11(10)14)18-5-8(12(15)19)16-17-18;1-7(2)11-10(5-4-9(13)12(11)14)17-6-8(3)15-16-17;1-7(2)9-5-8(13)3-4-11(9)17-6-10(12(14)18)15-16-17;1-8(2)11-6-10(13)4-5-12(11)16-7-9(3)14-15-16;1-6(2)10-8(4-3-7(13)11(10)14)17-5-9(12)15-16-17;1-7(2)9-5-8(13)3-4-10(9)16-6-11(12)14-15-16/h3-11H,1-2H3;3-12H,1-2H3;3-6,12H,1-2H3;2*3-6H,1-2H3,(H2,15,19);4-7H,1-3H3;3-7H,1-2H3,(H2,14,18);4-8H,1-3H3;3-6H,1-2H3;3-7H,1-2H3
InChIKeyHIDQTXOEYRLICU-UHFFFAOYSA-N
MW2841.97 g/mol
LogP34.99
Rot. Bonds26

About 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxamide);1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxamide

4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxamide);1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxamide (PubChem CID 158486441) has the molecular formula C128H127Br2Cl10F8N33O3 and a molecular weight of 2841.97 g/mol. Its IUPAC name is 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxamide);1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxamide);1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxamide
PubChem CID158486441
Molecular FormulaC128H127Br2Cl10F8N33O3
Molecular Weight2841.97 g/mol
Exact Mass2833.59
IUPAC Name4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxamide);1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxamide
SMILESCC(C)c1c(-n2cc(-c3ccccc3)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(Br)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(F)F)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(N)=O)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(N)=O)nn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-n1cc(-c2ccccc2)nn1.CC(C)c1cc(Cl)ccc1-n1cc(Br)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C(N)=O)nn1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1
InChIInChI=1S/C17H15ClFN3.C17H16ClN3.C12H11ClF3N3.2C12H12ClFN4O.C12H13ClFN3.C12H13ClN4O.C12H14ClN3.C11H10BrClFN3.C11H11BrClN3/c1-11(2)16-15(9-8-13(18)17(16)19)22-10-14(20-21-22)12-6-4-3-5-7-12;1-12(2)15-10-14(18)8-9-17(15)21-11-16(19-20-21)13-6-4-3-5-7-13;1-6(2)10-9(4-3-7(13)11(10)14)19-5-8(12(15)16)17-18-19;2*1-6(2)10-9(4-3-7(13)11(10)14)18-5-8(12(15)19)16-17-18;1-7(2)11-10(5-4-9(13)12(11)14)17-6-8(3)15-16-17;1-7(2)9-5-8(13)3-4-11(9)17-6-10(12(14)18)15-16-17;1-8(2)11-6-10(13)4-5-12(11)16-7-9(3)14-15-16;1-6(2)10-8(4-3-7(13)11(10)14)17-5-9(12)15-16-17;1-7(2)9-5-8(13)3-4-10(9)16-6-11(12)14-15-16/h3-11H,1-2H3;3-12H,1-2H3;3-6,12H,1-2H3;2*3-6H,1-2H3,(H2,15,19);4-7H,1-3H3;3-7H,1-2H3,(H2,14,18);4-8H,1-3H3;3-6H,1-2H3;3-7H,1-2H3
InChIKeyHIDQTXOEYRLICU-UHFFFAOYSA-N
XLogP34.99
TPSA436.37 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds26
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002841.97
LogP ≤ 534.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Analyze 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxamide);1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxamide);1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxamide?
The IUPAC name of 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxamide);1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxamide (CID 158486441) is 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxamide);1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxamide);1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxamide?
The canonical SMILES for 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxamide);1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxamide is CC(C)c1c(-n2cc(-c3ccccc3)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(Br)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(F)F)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(N)=O)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(N)=O)nn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-n1cc(-c2ccccc2)nn1.CC(C)c1cc(Cl)ccc1-n1cc(Br)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C(N)=O)nn1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1.
What is the InChIKey of 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxamide);1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxamide?
The InChIKey is HIDQTXOEYRLICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3.C17H16ClN3.C12H11ClF3N3.2C12H12ClFN4O.C12H13ClFN3.C12H13ClN4O.C12H14ClN3.C11H10BrClFN3.C11H11BrClN3/c1-11(2)16-15(9-8-13(18)17(16)19)22-10-14(20-21-22)12-6-4-3-5-7-12;1-12(2)15-10-14(18)8-9-17(15)21-11-16(19-20-21)13-6-4-3-5-7-13;1-6(2)10-9(4-3-7(13)11(10)14)19-5-8(12(15)16)17-18-19;2*1-6(2)10-9(4-3-7(13)11(10)14)18-5-8(12(15)19)16-17-18;1-7(2)11-10(5-4-9(13)12(11)14)17-6-8(3)15-16-17;1-7(2)9-5-8(13)3-4-11(9)17-6-10(12(14)18)15-16-17;1-8(2)11-6-10(13)4-5-12(11)16-7-9(3)14-15-16;1-6(2)10-8(4-3-7(13)11(10)14)17-5-9(12)15-16-17;1-7(2)9-5-8(13)3-4-10(9)16-6-11(12)14-15-16/h3-11H,1-2H3;3-12H,1-2H3;3-6,12H,1-2H3;2*3-6H,1-2H3,(H2,15,19);4-7H,1-3H3;3-7H,1-2H3,(H2,14,18);4-8H,1-3H3;3-6H,1-2H3;3-7H,1-2H3.
What are the key properties of 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxamide);1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxamide?
4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxamide);1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxamide has a molecular weight of 2841.97 g/mol, XLogP of 34.99, 26 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-bromo-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-phenyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxamide);1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-phenyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 158486441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).