3-(3-tert-butylphenyl)-4-chloro-1H-indazole;4-chloro-3-(3-ethylphenyl)-1H-indazole;1-[3-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;1-[3-(1H-indazol-3-yl)phenyl]ethanone;3-(4-methylphenyl)-5-(trifluoromethyl)-1H-indazole

C106H86Cl5F3N14O4 — CID 165101237

IUPAC3-(3-tert-butylphenyl)-4-chloro-1H-indazole;4-chloro-3-(3-ethylphenyl)-1H-indazole;1-[3-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;1-[3-(1H-indazol-3-yl)phenyl]ethanone;3-(4-methylphenyl)-5-(trifluoromethyl)-1H-indazole
SMILESCC(=O)c1ccc(-c2n[nH]c3cccc(Cl)c23)cc1.CC(=O)c1cccc(-c2n[nH]c3cccc(Cl)c23)c1.CC(=O)c1cccc(-c2n[nH]c3ccccc23)c1.CC(C)(C)c1cccc(-c2n[nH]c3cccc(Cl)c23)c1.CCc1cccc(-c2n[nH]c3cccc(Cl)c23)c1.Cc1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1.OCc1ccc(-c2n[nH]c3cccc(Cl)c23)cc1
InChIInChI=1S/C17H17ClN2.2C15H11ClN2O.C15H13ClN2.C15H11F3N2.C15H12N2O.C14H11ClN2O/c1-17(2,3)12-7-4-6-11(10-12)16-15-13(18)8-5-9-14(15)19-20-16;1-9(19)10-4-2-5-11(8-10)15-14-12(16)6-3-7-13(14)17-18-15;1-9(19)10-5-7-11(8-6-10)15-14-12(16)3-2-4-13(14)17-18-15;1-2-10-5-3-6-11(9-10)15-14-12(16)7-4-8-13(14)17-18-15;1-9-2-4-10(5-3-9)14-12-8-11(15(16,17)18)6-7-13(12)19-20-14;1-10(18)11-5-4-6-12(9-11)15-13-7-2-3-8-14(13)16-17-15;15-11-2-1-3-12-13(11)14(17-16-12)10-6-4-9(8-18)5-7-10/h4-10H,1-3H3,(H,19,20);2*2-8H,1H3,(H,17,18);3-9H,2H2,1H3,(H,17,18);2-8H,1H3,(H,19,20);2-9H,1H3,(H,16,17);1-7,18H,8H2,(H,16,17)
InChIKeyYIYAWMSERMKINW-UHFFFAOYSA-N
MW1854.21 g/mol
LogP29.16
Rot. Bonds12

About 3-(3-tert-butylphenyl)-4-chloro-1H-indazole;4-chloro-3-(3-ethylphenyl)-1H-indazole;1-[3-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;1-[3-(1H-indazol-3-yl)phenyl]ethanone;3-(4-methylphenyl)-5-(trifluoromethyl)-1H-indazole

3-(3-tert-butylphenyl)-4-chloro-1H-indazole;4-chloro-3-(3-ethylphenyl)-1H-indazole;1-[3-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;1-[3-(1H-indazol-3-yl)phenyl]ethanone;3-(4-methylphenyl)-5-(trifluoromethyl)-1H-indazole (PubChem CID 165101237) has the molecular formula C106H86Cl5F3N14O4 and a molecular weight of 1854.21 g/mol. Its IUPAC name is 3-(3-tert-butylphenyl)-4-chloro-1H-indazole;4-chloro-3-(3-ethylphenyl)-1H-indazole;1-[3-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;1-[3-(1H-indazol-3-yl)phenyl]ethanone;3-(4-methylphenyl)-5-(trifluoromethyl)-1H-indazole.

Molecular Properties

Compound Name3-(3-tert-butylphenyl)-4-chloro-1H-indazole;4-chloro-3-(3-ethylphenyl)-1H-indazole;1-[3-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;1-[3-(1H-indazol-3-yl)phenyl]ethanone;3-(4-methylphenyl)-5-(trifluoromethyl)-1H-indazole
PubChem CID165101237
Molecular FormulaC106H86Cl5F3N14O4
Molecular Weight1854.21 g/mol
Exact Mass1850.54
IUPAC Name3-(3-tert-butylphenyl)-4-chloro-1H-indazole;4-chloro-3-(3-ethylphenyl)-1H-indazole;1-[3-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;1-[3-(1H-indazol-3-yl)phenyl]ethanone;3-(4-methylphenyl)-5-(trifluoromethyl)-1H-indazole
SMILESCC(=O)c1ccc(-c2n[nH]c3cccc(Cl)c23)cc1.CC(=O)c1cccc(-c2n[nH]c3cccc(Cl)c23)c1.CC(=O)c1cccc(-c2n[nH]c3ccccc23)c1.CC(C)(C)c1cccc(-c2n[nH]c3cccc(Cl)c23)c1.CCc1cccc(-c2n[nH]c3cccc(Cl)c23)c1.Cc1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1.OCc1ccc(-c2n[nH]c3cccc(Cl)c23)cc1
InChIInChI=1S/C17H17ClN2.2C15H11ClN2O.C15H13ClN2.C15H11F3N2.C15H12N2O.C14H11ClN2O/c1-17(2,3)12-7-4-6-11(10-12)16-15-13(18)8-5-9-14(15)19-20-16;1-9(19)10-4-2-5-11(8-10)15-14-12(16)6-3-7-13(14)17-18-15;1-9(19)10-5-7-11(8-6-10)15-14-12(16)3-2-4-13(14)17-18-15;1-2-10-5-3-6-11(9-10)15-14-12(16)7-4-8-13(14)17-18-15;1-9-2-4-10(5-3-9)14-12-8-11(15(16,17)18)6-7-13(12)19-20-14;1-10(18)11-5-4-6-12(9-11)15-13-7-2-3-8-14(13)16-17-15;15-11-2-1-3-12-13(11)14(17-16-12)10-6-4-9(8-18)5-7-10/h4-10H,1-3H3,(H,19,20);2*2-8H,1H3,(H,17,18);3-9H,2H2,1H3,(H,17,18);2-8H,1H3,(H,19,20);2-9H,1H3,(H,16,17);1-7,18H,8H2,(H,16,17)
InChIKeyYIYAWMSERMKINW-UHFFFAOYSA-N
XLogP29.16
TPSA272.20 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms132
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001854.21
LogP ≤ 529.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Analyze 3-(3-tert-butylphenyl)-4-chloro-1H-indazole;4-chloro-3-(3-ethylphenyl)-1H-indazole;1-[3-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;1-[3-(1H-indazol-3-yl)phenyl]ethanone;3-(4-methylphenyl)-5-(trifluoromethyl)-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylphenyl)-4-chloro-1H-indazole;4-chloro-3-(3-ethylphenyl)-1H-indazole;1-[3-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;1-[3-(1H-indazol-3-yl)phenyl]ethanone;3-(4-methylphenyl)-5-(trifluoromethyl)-1H-indazole?
The IUPAC name of 3-(3-tert-butylphenyl)-4-chloro-1H-indazole;4-chloro-3-(3-ethylphenyl)-1H-indazole;1-[3-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;1-[3-(1H-indazol-3-yl)phenyl]ethanone;3-(4-methylphenyl)-5-(trifluoromethyl)-1H-indazole (CID 165101237) is 3-(3-tert-butylphenyl)-4-chloro-1H-indazole;4-chloro-3-(3-ethylphenyl)-1H-indazole;1-[3-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;1-[3-(1H-indazol-3-yl)phenyl]ethanone;3-(4-methylphenyl)-5-(trifluoromethyl)-1H-indazole.
What is the SMILES notation for 3-(3-tert-butylphenyl)-4-chloro-1H-indazole;4-chloro-3-(3-ethylphenyl)-1H-indazole;1-[3-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;1-[3-(1H-indazol-3-yl)phenyl]ethanone;3-(4-methylphenyl)-5-(trifluoromethyl)-1H-indazole?
The canonical SMILES for 3-(3-tert-butylphenyl)-4-chloro-1H-indazole;4-chloro-3-(3-ethylphenyl)-1H-indazole;1-[3-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;1-[3-(1H-indazol-3-yl)phenyl]ethanone;3-(4-methylphenyl)-5-(trifluoromethyl)-1H-indazole is CC(=O)c1ccc(-c2n[nH]c3cccc(Cl)c23)cc1.CC(=O)c1cccc(-c2n[nH]c3cccc(Cl)c23)c1.CC(=O)c1cccc(-c2n[nH]c3ccccc23)c1.CC(C)(C)c1cccc(-c2n[nH]c3cccc(Cl)c23)c1.CCc1cccc(-c2n[nH]c3cccc(Cl)c23)c1.Cc1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1.OCc1ccc(-c2n[nH]c3cccc(Cl)c23)cc1.
What is the InChIKey of 3-(3-tert-butylphenyl)-4-chloro-1H-indazole;4-chloro-3-(3-ethylphenyl)-1H-indazole;1-[3-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;1-[3-(1H-indazol-3-yl)phenyl]ethanone;3-(4-methylphenyl)-5-(trifluoromethyl)-1H-indazole?
The InChIKey is YIYAWMSERMKINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2.2C15H11ClN2O.C15H13ClN2.C15H11F3N2.C15H12N2O.C14H11ClN2O/c1-17(2,3)12-7-4-6-11(10-12)16-15-13(18)8-5-9-14(15)19-20-16;1-9(19)10-4-2-5-11(8-10)15-14-12(16)6-3-7-13(14)17-18-15;1-9(19)10-5-7-11(8-6-10)15-14-12(16)3-2-4-13(14)17-18-15;1-2-10-5-3-6-11(9-10)15-14-12(16)7-4-8-13(14)17-18-15;1-9-2-4-10(5-3-9)14-12-8-11(15(16,17)18)6-7-13(12)19-20-14;1-10(18)11-5-4-6-12(9-11)15-13-7-2-3-8-14(13)16-17-15;15-11-2-1-3-12-13(11)14(17-16-12)10-6-4-9(8-18)5-7-10/h4-10H,1-3H3,(H,19,20);2*2-8H,1H3,(H,17,18);3-9H,2H2,1H3,(H,17,18);2-8H,1H3,(H,19,20);2-9H,1H3,(H,16,17);1-7,18H,8H2,(H,16,17).
What are the key properties of 3-(3-tert-butylphenyl)-4-chloro-1H-indazole;4-chloro-3-(3-ethylphenyl)-1H-indazole;1-[3-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;1-[3-(1H-indazol-3-yl)phenyl]ethanone;3-(4-methylphenyl)-5-(trifluoromethyl)-1H-indazole?
3-(3-tert-butylphenyl)-4-chloro-1H-indazole;4-chloro-3-(3-ethylphenyl)-1H-indazole;1-[3-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;1-[3-(1H-indazol-3-yl)phenyl]ethanone;3-(4-methylphenyl)-5-(trifluoromethyl)-1H-indazole has a molecular weight of 1854.21 g/mol, XLogP of 29.16, 12 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylphenyl)-4-chloro-1H-indazole;4-chloro-3-(3-ethylphenyl)-1H-indazole;1-[3-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(4-chloro-1H-indazol-3-yl)phenyl]ethanone;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;1-[3-(1H-indazol-3-yl)phenyl]ethanone;3-(4-methylphenyl)-5-(trifluoromethyl)-1H-indazole is sourced from PubChem (CID 165101237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).