1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid

C17H10F6N2O2 — CID 11574601

IUPAC1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2ccccc12
InChIInChI=1S/C17H10F6N2O2/c18-16(19,20)10-6-5-9(12(7-10)17(21,22)23)8-25-13-4-2-1-3-11(13)14(24-25)15(26)27/h1-7H,8H2,(H,26,27)
InChIKeyWKKXMHGRXDZIMS-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.82
Rot. Bonds3

About 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid

1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid (PubChem CID 11574601) has the molecular formula C17H10F6N2O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid
PubChem CID11574601
Molecular FormulaC17H10F6N2O2
Molecular Weight388.27 g/mol
Exact Mass388.06
IUPAC Name1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2ccccc12
InChIInChI=1S/C17H10F6N2O2/c18-16(19,20)10-6-5-9(12(7-10)17(21,22)23)8-25-13-4-2-1-3-11(13)14(24-25)15(26)27/h1-7H,8H2,(H,26,27)
InChIKeyWKKXMHGRXDZIMS-UHFFFAOYSA-N
XLogP4.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tolnidamine
CID 68679
1-((4-Chlorophenyl)methyl)-1H-indazole-3-carboxylic acid
CID 100493
Xinidamine
CID 68675
Mfubinac
CID 58124744
1-(4-Fluorobenzyl)-1H-indazole-3-carboxylic acid
CID 206430
1H-Indazole-3-carboxylic acid, 1-methyl-
CID 689105
6-Phenyl-1-(pyridin-4-ylmethyl)indazole-4-carboxylic acid
CID 71601937
1-(4,4-Difluorocyclohexyl)-3-propylindazole-5-carboxylic acid
CID 168273954
3-Chloro-1-[(2,6-dimethylphenyl)methyl]indazole-6-carboxylic acid
CID 68183810
3-[1-[(2,6-Dimethylphenyl)methyl]-3-methylindazol-6-yl]propanoic acid
CID 68183990
1-[(2,6-Dimethylphenyl)methyl]-3-ethylindazole-6-carboxylic acid
CID 68184291
1-(2,6-dimethylbenzyl)-3-methyl-1H-indazole-6-carboxylic acid
CID 68184383

Frequently Asked Questions

What is the IUPAC name of 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid?
The IUPAC name of 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid (CID 11574601) is 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid.
What is the SMILES notation for 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid?
The canonical SMILES for 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid is O=C(O)c1nn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2ccccc12.
What is the InChIKey of 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid?
The InChIKey is WKKXMHGRXDZIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N2O2/c18-16(19,20)10-6-5-9(12(7-10)17(21,22)23)8-25-13-4-2-1-3-11(13)14(24-25)15(26)27/h1-7H,8H2,(H,26,27).
What are the key properties of 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid?
1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid has a molecular weight of 388.27 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid is sourced from PubChem (CID 11574601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).