7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole

C20H15F3N2O — CID 22965623

IUPAC7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole
SMILESCOc1ccc2c(ccc3c(C(F)(F)F)nn(-c4ccc(C)cc4)c32)c1
InChIInChI=1S/C20H15F3N2O/c1-12-3-6-14(7-4-12)25-18-16-10-8-15(26-2)11-13(16)5-9-17(18)19(24-25)20(21,22)23/h3-11H,1-2H3
InChIKeyYDFVSCFADBNGMH-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.51
Rot. Bonds2

About 7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole

7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole (PubChem CID 22965623) has the molecular formula C20H15F3N2O and a molecular weight of 356.35 g/mol. Its IUPAC name is 7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole.

Molecular Properties

Compound Name7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole
PubChem CID22965623
Molecular FormulaC20H15F3N2O
Molecular Weight356.35 g/mol
Exact Mass356.11
IUPAC Name7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole
SMILESCOc1ccc2c(ccc3c(C(F)(F)F)nn(-c4ccc(C)cc4)c32)c1
InChIInChI=1S/C20H15F3N2O/c1-12-3-6-14(7-4-12)25-18-16-10-8-15(26-2)11-13(16)5-9-17(18)19(24-25)20(21,22)23/h3-11H,1-2H3
InChIKeyYDFVSCFADBNGMH-UHFFFAOYSA-N
XLogP5.51
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100561110
N-[(6-methoxynaphthalen-2-yl)methyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46552744
5-chloro-4-(chloromethyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 63173164
2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene
CID 58556071
1-(4-bromophenyl)-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole
CID 68883324
methanesulfonamide;5-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 142958737
(4Z)-5-chloro-N-hydroxy-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride
CID 139231083
1-(4-fluorophenyl)-8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852568
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
8-fluoro-1-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20953354
4-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)pyrazole-3-carbonitrile
CID 172842617
3-methoxy-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole
CID 173202359

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole?
The IUPAC name of 7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole (CID 22965623) is 7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole.
What is the SMILES notation for 7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole?
The canonical SMILES for 7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole is COc1ccc2c(ccc3c(C(F)(F)F)nn(-c4ccc(C)cc4)c32)c1.
What is the InChIKey of 7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole?
The InChIKey is YDFVSCFADBNGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O/c1-12-3-6-14(7-4-12)25-18-16-10-8-15(26-2)11-13(16)5-9-17(18)19(24-25)20(21,22)23/h3-11H,1-2H3.
What are the key properties of 7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole?
7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole has a molecular weight of 356.35 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole is sourced from PubChem (CID 22965623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).