3-(3-chlorophenyl)-2-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)indazole

C22H16ClF3N2O — CID 67021143

IUPAC3-(3-chlorophenyl)-2-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)indazole
SMILESCOc1cccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2cccc(Cl)c2)c1
InChIInChI=1S/C22H16ClF3N2O/c1-29-17-8-2-5-14(11-17)13-28-21(15-6-3-7-16(23)12-15)18-9-4-10-19(20(18)27-28)22(24,25)26/h2-12H,13H2,1H3
InChIKeyXWZAVAXMHKFYOQ-UHFFFAOYSA-N
MW416.83 g/mol
LogP6.43
Rot. Bonds4

About 3-(3-chlorophenyl)-2-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)indazole

3-(3-chlorophenyl)-2-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)indazole (PubChem CID 67021143) has the molecular formula C22H16ClF3N2O and a molecular weight of 416.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)indazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)indazole
PubChem CID67021143
Molecular FormulaC22H16ClF3N2O
Molecular Weight416.83 g/mol
Exact Mass416.09
IUPAC Name3-(3-chlorophenyl)-2-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)indazole
SMILESCOc1cccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2cccc(Cl)c2)c1
InChIInChI=1S/C22H16ClF3N2O/c1-29-17-8-2-5-14(11-17)13-28-21(15-6-3-7-16(23)12-15)18-9-4-10-19(20(18)27-28)22(24,25)26/h2-12H,13H2,1H3
InChIKeyXWZAVAXMHKFYOQ-UHFFFAOYSA-N
XLogP6.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.83
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-2-fluorophenyl)methyl]-3-[3-[2-(3-methoxyphenyl)ethyl]phenyl]-7-(trifluoromethyl)indazole
CID 67021472
3-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-(trifluoromethyl)indazole
CID 68816519
2-benzyl-3-[4-[(3-methoxyphenyl)methyl]phenyl]-7-(trifluoromethyl)indazole
CID 151243420
2-benzyl-3-(3,4-difluorophenyl)-7-(trifluoromethyl)indazole
CID 67021206
2-benzyl-3-[3-(2-tert-butylphenoxy)phenyl]-7-(trifluoromethyl)indazole
CID 67021169
2-benzyl-3-[3-(naphthalen-1-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole
CID 67021402
2-benzyl-3-[3-[2-(trifluoromethoxy)phenoxy]phenyl]-7-(trifluoromethyl)indazole
CID 87239340
3-(3-chlorophenyl)-2-[(2,4-difluorophenyl)methyl]-7-(trifluoromethyl)indazole
CID 87240411
3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-phenylaniline
CID 11690805
2-benzyl-3-[3-(naphthalen-2-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole
CID 67021220
2-benzyl-3-[4-(2,4-dichlorophenoxy)phenyl]-7-(trifluoromethyl)indazole
CID 67021356
3-(4-methoxy-2-methylphenyl)-2-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazole
CID 11647215

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)indazole?
The IUPAC name of 3-(3-chlorophenyl)-2-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)indazole (CID 67021143) is 3-(3-chlorophenyl)-2-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)indazole.
What is the SMILES notation for 3-(3-chlorophenyl)-2-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)indazole?
The canonical SMILES for 3-(3-chlorophenyl)-2-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)indazole is COc1cccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)indazole?
The InChIKey is XWZAVAXMHKFYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N2O/c1-29-17-8-2-5-14(11-17)13-28-21(15-6-3-7-16(23)12-15)18-9-4-10-19(20(18)27-28)22(24,25)26/h2-12H,13H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)indazole?
3-(3-chlorophenyl)-2-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)indazole has a molecular weight of 416.83 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)indazole is sourced from PubChem (CID 67021143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).