2-[(4-methylphenyl)methyl]-3-phenyl-7-(trifluoromethyl)indazole

C22H17F3N2 — CID 67021408

IUPAC2-[(4-methylphenyl)methyl]-3-phenyl-7-(trifluoromethyl)indazole
SMILESCc1ccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccccc2)cc1
InChIInChI=1S/C22H17F3N2/c1-15-10-12-16(13-11-15)14-27-21(17-6-3-2-4-7-17)18-8-5-9-19(20(18)26-27)22(23,24)25/h2-13H,14H2,1H3
InChIKeyPALWFYMXTLLKGV-UHFFFAOYSA-N
MW366.39 g/mol
LogP6.08
Rot. Bonds3

About 2-[(4-methylphenyl)methyl]-3-phenyl-7-(trifluoromethyl)indazole

2-[(4-methylphenyl)methyl]-3-phenyl-7-(trifluoromethyl)indazole (PubChem CID 67021408) has the molecular formula C22H17F3N2 and a molecular weight of 366.39 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-3-phenyl-7-(trifluoromethyl)indazole.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-3-phenyl-7-(trifluoromethyl)indazole
PubChem CID67021408
Molecular FormulaC22H17F3N2
Molecular Weight366.39 g/mol
Exact Mass366.13
IUPAC Name2-[(4-methylphenyl)methyl]-3-phenyl-7-(trifluoromethyl)indazole
SMILESCc1ccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccccc2)cc1
InChIInChI=1S/C22H17F3N2/c1-15-10-12-16(13-11-15)14-27-21(17-6-3-2-4-7-17)18-8-5-9-19(20(18)26-27)22(23,24)25/h2-13H,14H2,1H3
InChIKeyPALWFYMXTLLKGV-UHFFFAOYSA-N
XLogP6.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.39
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenyl]methyl]phenyl]acetic acid
CID 11547844
2-benzyl-3-(3,4-difluorophenyl)-7-(trifluoromethyl)indazole
CID 67021206
2-benzyl-3-naphthalen-2-yl-7-(trifluoromethyl)indazole
CID 68816801
N-benzyl-4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-methylaniline
CID 11670023
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
3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-phenylaniline
CID 11690805
3-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazole
CID 67021290
3-(4-methoxy-2-methylphenyl)-2-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazole
CID 11647215
[4-[[4-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]methyl]phenyl]methylphosphonic acid
CID 67020885
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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-3-phenyl-7-(trifluoromethyl)indazole?
The IUPAC name of 2-[(4-methylphenyl)methyl]-3-phenyl-7-(trifluoromethyl)indazole (CID 67021408) is 2-[(4-methylphenyl)methyl]-3-phenyl-7-(trifluoromethyl)indazole.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-3-phenyl-7-(trifluoromethyl)indazole?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-3-phenyl-7-(trifluoromethyl)indazole is Cc1ccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-3-phenyl-7-(trifluoromethyl)indazole?
The InChIKey is PALWFYMXTLLKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2/c1-15-10-12-16(13-11-15)14-27-21(17-6-3-2-4-7-17)18-8-5-9-19(20(18)26-27)22(23,24)25/h2-13H,14H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-3-phenyl-7-(trifluoromethyl)indazole?
2-[(4-methylphenyl)methyl]-3-phenyl-7-(trifluoromethyl)indazole has a molecular weight of 366.39 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-3-phenyl-7-(trifluoromethyl)indazole is sourced from PubChem (CID 67021408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).