1-[4-(6-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone;methyl 4-(6-chloro-1H-indazol-3-yl)benzoate;methyl 4-(6-fluoro-1H-indazol-3-yl)benzoate;1-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone

C76H55Cl2F5N10O7 — CID 164971449

IUPAC1-[4-(6-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone;methyl 4-(6-chloro-1H-indazol-3-yl)benzoate;methyl 4-(6-fluoro-1H-indazol-3-yl)benzoate;1-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2n[nH]c3cc(C(F)(F)F)ccc23)cc1.CC(=O)c1ccc(-c2n[nH]c3cc(Cl)ccc23)cc1.CC(=O)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1.COC(=O)c1ccc(-c2n[nH]c3cc(Cl)ccc23)cc1.COC(=O)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C16H11F3N2O.C15H11ClN2O2.C15H11ClN2O.C15H11FN2O2.C15H11FN2O/c1-9(22)10-2-4-11(5-3-10)15-13-7-6-12(16(17,18)19)8-14(13)20-21-15;1-20-15(19)10-4-2-9(3-5-10)14-12-7-6-11(16)8-13(12)17-18-14;1-9(19)10-2-4-11(5-3-10)15-13-7-6-12(16)8-14(13)17-18-15;1-20-15(19)10-4-2-9(3-5-10)14-12-7-6-11(16)8-13(12)17-18-14;1-9(19)10-2-4-11(5-3-10)15-13-7-6-12(16)8-14(13)17-18-15/h2-8H,1H3,(H,20,21);2-8H,1H3,(H,17,18);2-8H,1H3,(H,17,18);2-8H,1H3,(H,17,18);2-8H,1H3,(H,17,18)
InChIKeyDEGXTXQBAIPLEG-UHFFFAOYSA-N
MW1386.23 g/mol
LogP18.93
Rot. Bonds10

About 1-[4-(6-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone;methyl 4-(6-chloro-1H-indazol-3-yl)benzoate;methyl 4-(6-fluoro-1H-indazol-3-yl)benzoate;1-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone

1-[4-(6-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone;methyl 4-(6-chloro-1H-indazol-3-yl)benzoate;methyl 4-(6-fluoro-1H-indazol-3-yl)benzoate;1-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone (PubChem CID 164971449) has the molecular formula C76H55Cl2F5N10O7 and a molecular weight of 1386.23 g/mol. Its IUPAC name is 1-[4-(6-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone;methyl 4-(6-chloro-1H-indazol-3-yl)benzoate;methyl 4-(6-fluoro-1H-indazol-3-yl)benzoate;1-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(6-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone;methyl 4-(6-chloro-1H-indazol-3-yl)benzoate;methyl 4-(6-fluoro-1H-indazol-3-yl)benzoate;1-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone
PubChem CID164971449
Molecular FormulaC76H55Cl2F5N10O7
Molecular Weight1386.23 g/mol
Exact Mass1384.36
IUPAC Name1-[4-(6-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone;methyl 4-(6-chloro-1H-indazol-3-yl)benzoate;methyl 4-(6-fluoro-1H-indazol-3-yl)benzoate;1-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2n[nH]c3cc(C(F)(F)F)ccc23)cc1.CC(=O)c1ccc(-c2n[nH]c3cc(Cl)ccc23)cc1.CC(=O)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1.COC(=O)c1ccc(-c2n[nH]c3cc(Cl)ccc23)cc1.COC(=O)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C16H11F3N2O.C15H11ClN2O2.C15H11ClN2O.C15H11FN2O2.C15H11FN2O/c1-9(22)10-2-4-11(5-3-10)15-13-7-6-12(16(17,18)19)8-14(13)20-21-15;1-20-15(19)10-4-2-9(3-5-10)14-12-7-6-11(16)8-13(12)17-18-14;1-9(19)10-2-4-11(5-3-10)15-13-7-6-12(16)8-14(13)17-18-15;1-20-15(19)10-4-2-9(3-5-10)14-12-7-6-11(16)8-13(12)17-18-14;1-9(19)10-2-4-11(5-3-10)15-13-7-6-12(16)8-14(13)17-18-15/h2-8H,1H3,(H,20,21);2-8H,1H3,(H,17,18);2-8H,1H3,(H,17,18);2-8H,1H3,(H,17,18);2-8H,1H3,(H,17,18)
InChIKeyDEGXTXQBAIPLEG-UHFFFAOYSA-N
XLogP18.93
TPSA247.21 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001386.23
LogP ≤ 518.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 1-[4-(6-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone;methyl 4-(6-chloro-1H-indazol-3-yl)benzoate;methyl 4-(6-fluoro-1H-indazol-3-yl)benzoate;1-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone with MolForge

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Related Compounds

3-(1,3-benzodioxol-5-yl)-6-chloro-1H-indazole;3-(1,3-benzodioxol-5-yl)-6-fluoro-1H-indazole;4-(6-chloro-1H-indazol-3-yl)benzoic acid;1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone;methyl 4-(6-chloro-1H-indazol-3-yl)benzoate;methyl 4-(6-fluoro-1H-indazol-3-yl)benzoate;4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid
CID 158244813
3-(1,3-benzodioxol-5-yl)-6-chloro-1H-indazole;3-(1,3-benzodioxol-5-yl)-6-fluoro-1H-indazole;4-(6-chloro-1H-indazol-3-yl)benzoic acid;4-(6-fluoro-1H-indazol-3-yl)benzoic acid;methyl 4-(6-chloro-1H-indazol-3-yl)benzoate;methyl 4-(6-fluoro-1H-indazol-3-yl)benzoate;4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid
CID 161317780
3-(3-ethylphenyl)-5-methyl-1H-indazole;3-(4-ethylphenyl)-5-methyl-1H-indazole;1-[3-(5-methyl-1H-indazol-3-yl)phenyl]ethanone;1-[4-(5-methyl-1H-indazol-3-yl)phenyl]nonan-1-one;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate
CID 164980420
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
(E)-3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(4-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-(4-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-(4-methylphenyl)prop-2-en-1-one;(E)-3-[3-[2-fluoro-4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]-1-(4-methylphenyl)prop-2-en-1-one;(E)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(4-methylphenyl)prop-2-en-1-one
CID 159468858
(E)-3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-fluoro-4-methylphenyl)prop-2-en-1-one;(E)-1-(3,4-dimethylphenyl)-3-(3-phenyl-1H-pyrazol-5-yl)prop-2-en-1-one;(E)-3-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1-(2-fluoro-4-methylphenyl)prop-2-en-1-one;(E)-3-[3-[2-fluoro-4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]-1-(2-fluoro-4-methylphenyl)prop-2-en-1-one;(E)-1-(2-fluoro-4-methylphenyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]prop-2-en-1-one
CID 159958642
(E)-3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(4-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1-(4-methylphenyl)prop-2-en-1-one;(E)-3-[3-[2-fluoro-4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]-1-(4-methylphenyl)prop-2-en-1-one;(E)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(4-methylphenyl)prop-2-en-1-one;(E)-1-(4-methylphenyl)-3-(3-phenyl-1H-pyrazol-5-yl)prop-2-en-1-one
CID 160803105
(E)-3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(4-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-(4-methylphenyl)prop-2-en-1-one;(E)-3-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1-(4-methylphenyl)prop-2-en-1-one;(E)-3-[3-[2-fluoro-4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]-1-(4-methylphenyl)prop-2-en-1-one;(E)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(4-methylphenyl)prop-2-en-1-one
CID 161438019

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone;methyl 4-(6-chloro-1H-indazol-3-yl)benzoate;methyl 4-(6-fluoro-1H-indazol-3-yl)benzoate;1-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone?
The IUPAC name of 1-[4-(6-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone;methyl 4-(6-chloro-1H-indazol-3-yl)benzoate;methyl 4-(6-fluoro-1H-indazol-3-yl)benzoate;1-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone (CID 164971449) is 1-[4-(6-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone;methyl 4-(6-chloro-1H-indazol-3-yl)benzoate;methyl 4-(6-fluoro-1H-indazol-3-yl)benzoate;1-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-(6-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone;methyl 4-(6-chloro-1H-indazol-3-yl)benzoate;methyl 4-(6-fluoro-1H-indazol-3-yl)benzoate;1-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-(6-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone;methyl 4-(6-chloro-1H-indazol-3-yl)benzoate;methyl 4-(6-fluoro-1H-indazol-3-yl)benzoate;1-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone is CC(=O)c1ccc(-c2n[nH]c3cc(C(F)(F)F)ccc23)cc1.CC(=O)c1ccc(-c2n[nH]c3cc(Cl)ccc23)cc1.CC(=O)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1.COC(=O)c1ccc(-c2n[nH]c3cc(Cl)ccc23)cc1.COC(=O)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1.
What is the InChIKey of 1-[4-(6-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone;methyl 4-(6-chloro-1H-indazol-3-yl)benzoate;methyl 4-(6-fluoro-1H-indazol-3-yl)benzoate;1-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone?
The InChIKey is DEGXTXQBAIPLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O.C15H11ClN2O2.C15H11ClN2O.C15H11FN2O2.C15H11FN2O/c1-9(22)10-2-4-11(5-3-10)15-13-7-6-12(16(17,18)19)8-14(13)20-21-15;1-20-15(19)10-4-2-9(3-5-10)14-12-7-6-11(16)8-13(12)17-18-14;1-9(19)10-2-4-11(5-3-10)15-13-7-6-12(16)8-14(13)17-18-15;1-20-15(19)10-4-2-9(3-5-10)14-12-7-6-11(16)8-13(12)17-18-14;1-9(19)10-2-4-11(5-3-10)15-13-7-6-12(16)8-14(13)17-18-15/h2-8H,1H3,(H,20,21);2-8H,1H3,(H,17,18);2-8H,1H3,(H,17,18);2-8H,1H3,(H,17,18);2-8H,1H3,(H,17,18).
What are the key properties of 1-[4-(6-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone;methyl 4-(6-chloro-1H-indazol-3-yl)benzoate;methyl 4-(6-fluoro-1H-indazol-3-yl)benzoate;1-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone?
1-[4-(6-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone;methyl 4-(6-chloro-1H-indazol-3-yl)benzoate;methyl 4-(6-fluoro-1H-indazol-3-yl)benzoate;1-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone has a molecular weight of 1386.23 g/mol, XLogP of 18.93, 10 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-1H-indazol-3-yl)phenyl]ethanone;1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone;methyl 4-(6-chloro-1H-indazol-3-yl)benzoate;methyl 4-(6-fluoro-1H-indazol-3-yl)benzoate;1-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]ethanone is sourced from PubChem (CID 164971449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).