3-(1,3-benzodioxol-5-yl)-4-chloro-1H-indazole;3-(4-chloro-1H-indazol-3-yl)benzamide;4-(4-chloro-1H-indazol-3-yl)benzamide;[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;2-[3-(4-chloro-1H-indazol-3-yl)phenyl]propan-2-ol;4-chloro-3-pyridin-3-yl-1H-indazole;3-(1H-indazol-3-yl)benzoic acid;4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenol

C126H93Cl7F3N21O10 — CID 158995027

IUPAC3-(1,3-benzodioxol-5-yl)-4-chloro-1H-indazole;3-(4-chloro-1H-indazol-3-yl)benzamide;4-(4-chloro-1H-indazol-3-yl)benzamide;[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;2-[3-(4-chloro-1H-indazol-3-yl)phenyl]propan-2-ol;4-chloro-3-pyridin-3-yl-1H-indazole;3-(1H-indazol-3-yl)benzoic acid;4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenol
SMILESCC(C)(O)c1cccc(-c2n[nH]c3cccc(Cl)c23)c1.Clc1cccc2[nH]nc(-c3ccc4c(c3)OCO4)c12.Clc1cccc2[nH]nc(-c3cccnc3)c12.NC(=O)c1ccc(-c2n[nH]c3cccc(Cl)c23)cc1.NC(=O)c1cccc(-c2n[nH]c3cccc(Cl)c23)c1.O=C(O)c1cccc(-c2n[nH]c3ccccc23)c1.OCc1ccc(-c2n[nH]c3cccc(Cl)c23)cc1.OCc1cccc(-c2n[nH]c3cccc(Cl)c23)c1.Oc1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C16H15ClN2O.2C14H10ClN3O.C14H9ClN2O2.2C14H11ClN2O.C14H9F3N2O.C14H10N2O2.C12H8ClN3/c1-16(2,20)11-6-3-5-10(9-11)15-14-12(17)7-4-8-13(14)18-19-15;15-10-5-2-6-11-12(10)13(18-17-11)8-3-1-4-9(7-8)14(16)19;15-10-2-1-3-11-12(10)13(18-17-11)8-4-6-9(7-5-8)14(16)19;15-9-2-1-3-10-13(9)14(17-16-10)8-4-5-11-12(6-8)19-7-18-11;15-11-5-2-6-12-13(11)14(17-16-12)10-4-1-3-9(7-10)8-18;15-11-2-1-3-12-13(11)14(17-16-12)10-6-4-9(8-18)5-7-10;15-14(16,17)9-3-6-12-11(7-9)13(19-18-12)8-1-4-10(20)5-2-8;17-14(18)10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)15-16-13;13-9-4-1-5-10-11(9)12(16-15-10)8-3-2-6-14-7-8/h3-9,20H,1-2H3,(H,18,19);2*1-7H,(H2,16,19)(H,17,18);1-6H,7H2,(H,16,17);2*1-7,18H,8H2,(H,16,17);1-7,20H,(H,18,19);1-8H,(H,15,16)(H,17,18);1-7H,(H,15,16)
InChIKeyJQQDQSSVDRJZSK-UHFFFAOYSA-N
MW2366.43 g/mol
LogP30.60
Rot. Bonds15

About 3-(1,3-benzodioxol-5-yl)-4-chloro-1H-indazole;3-(4-chloro-1H-indazol-3-yl)benzamide;4-(4-chloro-1H-indazol-3-yl)benzamide;[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;2-[3-(4-chloro-1H-indazol-3-yl)phenyl]propan-2-ol;4-chloro-3-pyridin-3-yl-1H-indazole;3-(1H-indazol-3-yl)benzoic acid;4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenol

3-(1,3-benzodioxol-5-yl)-4-chloro-1H-indazole;3-(4-chloro-1H-indazol-3-yl)benzamide;4-(4-chloro-1H-indazol-3-yl)benzamide;[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;2-[3-(4-chloro-1H-indazol-3-yl)phenyl]propan-2-ol;4-chloro-3-pyridin-3-yl-1H-indazole;3-(1H-indazol-3-yl)benzoic acid;4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenol (PubChem CID 158995027) has the molecular formula C126H93Cl7F3N21O10 and a molecular weight of 2366.43 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-4-chloro-1H-indazole;3-(4-chloro-1H-indazol-3-yl)benzamide;4-(4-chloro-1H-indazol-3-yl)benzamide;[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;2-[3-(4-chloro-1H-indazol-3-yl)phenyl]propan-2-ol;4-chloro-3-pyridin-3-yl-1H-indazole;3-(1H-indazol-3-yl)benzoic acid;4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenol.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-4-chloro-1H-indazole;3-(4-chloro-1H-indazol-3-yl)benzamide;4-(4-chloro-1H-indazol-3-yl)benzamide;[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;2-[3-(4-chloro-1H-indazol-3-yl)phenyl]propan-2-ol;4-chloro-3-pyridin-3-yl-1H-indazole;3-(1H-indazol-3-yl)benzoic acid;4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenol
PubChem CID158995027
Molecular FormulaC126H93Cl7F3N21O10
Molecular Weight2366.43 g/mol
Exact Mass2361.52
IUPAC Name3-(1,3-benzodioxol-5-yl)-4-chloro-1H-indazole;3-(4-chloro-1H-indazol-3-yl)benzamide;4-(4-chloro-1H-indazol-3-yl)benzamide;[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;2-[3-(4-chloro-1H-indazol-3-yl)phenyl]propan-2-ol;4-chloro-3-pyridin-3-yl-1H-indazole;3-(1H-indazol-3-yl)benzoic acid;4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenol
SMILESCC(C)(O)c1cccc(-c2n[nH]c3cccc(Cl)c23)c1.Clc1cccc2[nH]nc(-c3ccc4c(c3)OCO4)c12.Clc1cccc2[nH]nc(-c3cccnc3)c12.NC(=O)c1ccc(-c2n[nH]c3cccc(Cl)c23)cc1.NC(=O)c1cccc(-c2n[nH]c3cccc(Cl)c23)c1.O=C(O)c1cccc(-c2n[nH]c3ccccc23)c1.OCc1ccc(-c2n[nH]c3cccc(Cl)c23)cc1.OCc1cccc(-c2n[nH]c3cccc(Cl)c23)c1.Oc1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C16H15ClN2O.2C14H10ClN3O.C14H9ClN2O2.2C14H11ClN2O.C14H9F3N2O.C14H10N2O2.C12H8ClN3/c1-16(2,20)11-6-3-5-10(9-11)15-14-12(17)7-4-8-13(14)18-19-15;15-10-5-2-6-11-12(10)13(18-17-11)8-3-1-4-9(7-8)14(16)19;15-10-2-1-3-11-12(10)13(18-17-11)8-4-6-9(7-5-8)14(16)19;15-9-2-1-3-10-13(9)14(17-16-10)8-4-5-11-12(6-8)19-7-18-11;15-11-5-2-6-12-13(11)14(17-16-12)10-4-1-3-9(7-10)8-18;15-11-2-1-3-12-13(11)14(17-16-12)10-6-4-9(8-18)5-7-10;15-14(16,17)9-3-6-12-11(7-9)13(19-18-12)8-1-4-10(20)5-2-8;17-14(18)10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)15-16-13;13-9-4-1-5-10-11(9)12(16-15-10)8-3-2-6-14-7-8/h3-9,20H,1-2H3,(H,18,19);2*1-7H,(H2,16,19)(H,17,18);1-6H,7H2,(H,16,17);2*1-7,18H,8H2,(H,16,17);1-7,20H,(H,18,19);1-8H,(H,15,16)(H,17,18);1-7H,(H,15,16)
InChIKeyJQQDQSSVDRJZSK-UHFFFAOYSA-N
XLogP30.60
TPSA493.87 Ų
H-Bond Donors16
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002366.43
LogP ≤ 530.60
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1019

Analyze 3-(1,3-benzodioxol-5-yl)-4-chloro-1H-indazole;3-(4-chloro-1H-indazol-3-yl)benzamide;4-(4-chloro-1H-indazol-3-yl)benzamide;[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;2-[3-(4-chloro-1H-indazol-3-yl)phenyl]propan-2-ol;4-chloro-3-pyridin-3-yl-1H-indazole;3-(1H-indazol-3-yl)benzoic acid;4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenol with MolForge

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Related Compounds

5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-chloro-4-methylphenyl)ethenyl]-1H-pyrazole;methyl 2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]benzoate;4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
CID 157106426
5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-chlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;methyl 2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]benzoate;4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole
CID 158516840
3-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-1H-indazole;3-(5-methyl-1H-indazol-3-yl)benzamide;4-(5-methyl-1H-indazol-3-yl)benzoic acid;[3-(5-methyl-1H-indazol-3-yl)phenyl]methanol;[4-(5-methyl-1H-indazol-3-yl)phenyl]methanol;5-methyl-3-pyridin-3-yl-1H-indazole;methyl 4-[6-(trifluoromethyl)-1H-indazol-3-yl]benzoate
CID 160531054
3-(1,3-benzodioxol-5-yl)-5-methyl-1H-indazole;tert-butyl 3-(3-carbamoylphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;tert-butyl 3-(4-hydroxyphenyl)-5-(trifluoromethyl)indazole-1-carboxylate;4-(5-methyl-1H-indazol-3-yl)benzamide;4-(5-methyl-1H-indazol-3-yl)phenol;4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzamide;4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid
CID 162213123

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-4-chloro-1H-indazole;3-(4-chloro-1H-indazol-3-yl)benzamide;4-(4-chloro-1H-indazol-3-yl)benzamide;[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;2-[3-(4-chloro-1H-indazol-3-yl)phenyl]propan-2-ol;4-chloro-3-pyridin-3-yl-1H-indazole;3-(1H-indazol-3-yl)benzoic acid;4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenol?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-4-chloro-1H-indazole;3-(4-chloro-1H-indazol-3-yl)benzamide;4-(4-chloro-1H-indazol-3-yl)benzamide;[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;2-[3-(4-chloro-1H-indazol-3-yl)phenyl]propan-2-ol;4-chloro-3-pyridin-3-yl-1H-indazole;3-(1H-indazol-3-yl)benzoic acid;4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenol (CID 158995027) is 3-(1,3-benzodioxol-5-yl)-4-chloro-1H-indazole;3-(4-chloro-1H-indazol-3-yl)benzamide;4-(4-chloro-1H-indazol-3-yl)benzamide;[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;2-[3-(4-chloro-1H-indazol-3-yl)phenyl]propan-2-ol;4-chloro-3-pyridin-3-yl-1H-indazole;3-(1H-indazol-3-yl)benzoic acid;4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenol.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-4-chloro-1H-indazole;3-(4-chloro-1H-indazol-3-yl)benzamide;4-(4-chloro-1H-indazol-3-yl)benzamide;[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;2-[3-(4-chloro-1H-indazol-3-yl)phenyl]propan-2-ol;4-chloro-3-pyridin-3-yl-1H-indazole;3-(1H-indazol-3-yl)benzoic acid;4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenol?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-4-chloro-1H-indazole;3-(4-chloro-1H-indazol-3-yl)benzamide;4-(4-chloro-1H-indazol-3-yl)benzamide;[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;2-[3-(4-chloro-1H-indazol-3-yl)phenyl]propan-2-ol;4-chloro-3-pyridin-3-yl-1H-indazole;3-(1H-indazol-3-yl)benzoic acid;4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenol is CC(C)(O)c1cccc(-c2n[nH]c3cccc(Cl)c23)c1.Clc1cccc2[nH]nc(-c3ccc4c(c3)OCO4)c12.Clc1cccc2[nH]nc(-c3cccnc3)c12.NC(=O)c1ccc(-c2n[nH]c3cccc(Cl)c23)cc1.NC(=O)c1cccc(-c2n[nH]c3cccc(Cl)c23)c1.O=C(O)c1cccc(-c2n[nH]c3ccccc23)c1.OCc1ccc(-c2n[nH]c3cccc(Cl)c23)cc1.OCc1cccc(-c2n[nH]c3cccc(Cl)c23)c1.Oc1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-4-chloro-1H-indazole;3-(4-chloro-1H-indazol-3-yl)benzamide;4-(4-chloro-1H-indazol-3-yl)benzamide;[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;2-[3-(4-chloro-1H-indazol-3-yl)phenyl]propan-2-ol;4-chloro-3-pyridin-3-yl-1H-indazole;3-(1H-indazol-3-yl)benzoic acid;4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenol?
The InChIKey is JQQDQSSVDRJZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O.2C14H10ClN3O.C14H9ClN2O2.2C14H11ClN2O.C14H9F3N2O.C14H10N2O2.C12H8ClN3/c1-16(2,20)11-6-3-5-10(9-11)15-14-12(17)7-4-8-13(14)18-19-15;15-10-5-2-6-11-12(10)13(18-17-11)8-3-1-4-9(7-8)14(16)19;15-10-2-1-3-11-12(10)13(18-17-11)8-4-6-9(7-5-8)14(16)19;15-9-2-1-3-10-13(9)14(17-16-10)8-4-5-11-12(6-8)19-7-18-11;15-11-5-2-6-12-13(11)14(17-16-12)10-4-1-3-9(7-10)8-18;15-11-2-1-3-12-13(11)14(17-16-12)10-6-4-9(8-18)5-7-10;15-14(16,17)9-3-6-12-11(7-9)13(19-18-12)8-1-4-10(20)5-2-8;17-14(18)10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)15-16-13;13-9-4-1-5-10-11(9)12(16-15-10)8-3-2-6-14-7-8/h3-9,20H,1-2H3,(H,18,19);2*1-7H,(H2,16,19)(H,17,18);1-6H,7H2,(H,16,17);2*1-7,18H,8H2,(H,16,17);1-7,20H,(H,18,19);1-8H,(H,15,16)(H,17,18);1-7H,(H,15,16).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-4-chloro-1H-indazole;3-(4-chloro-1H-indazol-3-yl)benzamide;4-(4-chloro-1H-indazol-3-yl)benzamide;[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;2-[3-(4-chloro-1H-indazol-3-yl)phenyl]propan-2-ol;4-chloro-3-pyridin-3-yl-1H-indazole;3-(1H-indazol-3-yl)benzoic acid;4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenol?
3-(1,3-benzodioxol-5-yl)-4-chloro-1H-indazole;3-(4-chloro-1H-indazol-3-yl)benzamide;4-(4-chloro-1H-indazol-3-yl)benzamide;[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;2-[3-(4-chloro-1H-indazol-3-yl)phenyl]propan-2-ol;4-chloro-3-pyridin-3-yl-1H-indazole;3-(1H-indazol-3-yl)benzoic acid;4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenol has a molecular weight of 2366.43 g/mol, XLogP of 30.60, 15 rotatable bonds, 16 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-4-chloro-1H-indazole;3-(4-chloro-1H-indazol-3-yl)benzamide;4-(4-chloro-1H-indazol-3-yl)benzamide;[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol;[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol;2-[3-(4-chloro-1H-indazol-3-yl)phenyl]propan-2-ol;4-chloro-3-pyridin-3-yl-1H-indazole;3-(1H-indazol-3-yl)benzoic acid;4-[5-(trifluoromethyl)-1H-indazol-3-yl]phenol is sourced from PubChem (CID 158995027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).