1-[3-(trifluoromethoxy)phenyl]indazole-5-carboxylic acid

C15H9F3N2O3 — CID 59625943

IUPAC1-[3-(trifluoromethoxy)phenyl]indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(cnn2-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C15H9F3N2O3/c16-15(17,18)23-12-3-1-2-11(7-12)20-13-5-4-9(14(21)22)6-10(13)8-19-20/h1-8H,(H,21,22)
InChIKeyWBKQANIFFFKVCX-UHFFFAOYSA-N
MW322.24 g/mol
LogP3.62
Rot. Bonds3

About 1-[3-(trifluoromethoxy)phenyl]indazole-5-carboxylic acid

1-[3-(trifluoromethoxy)phenyl]indazole-5-carboxylic acid (PubChem CID 59625943) has the molecular formula C15H9F3N2O3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 1-[3-(trifluoromethoxy)phenyl]indazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[3-(trifluoromethoxy)phenyl]indazole-5-carboxylic acid
PubChem CID59625943
Molecular FormulaC15H9F3N2O3
Molecular Weight322.24 g/mol
Exact Mass322.06
IUPAC Name1-[3-(trifluoromethoxy)phenyl]indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(cnn2-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C15H9F3N2O3/c16-15(17,18)23-12-3-1-2-11(7-12)20-13-5-4-9(14(21)22)6-10(13)8-19-20/h1-8H,(H,21,22)
InChIKeyWBKQANIFFFKVCX-UHFFFAOYSA-N
XLogP3.62
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethoxy)phenyl]indazole-5-carboxylic acid?
The IUPAC name of 1-[3-(trifluoromethoxy)phenyl]indazole-5-carboxylic acid (CID 59625943) is 1-[3-(trifluoromethoxy)phenyl]indazole-5-carboxylic acid.
What is the SMILES notation for 1-[3-(trifluoromethoxy)phenyl]indazole-5-carboxylic acid?
The canonical SMILES for 1-[3-(trifluoromethoxy)phenyl]indazole-5-carboxylic acid is O=C(O)c1ccc2c(cnn2-c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 1-[3-(trifluoromethoxy)phenyl]indazole-5-carboxylic acid?
The InChIKey is WBKQANIFFFKVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O3/c16-15(17,18)23-12-3-1-2-11(7-12)20-13-5-4-9(14(21)22)6-10(13)8-19-20/h1-8H,(H,21,22).
What are the key properties of 1-[3-(trifluoromethoxy)phenyl]indazole-5-carboxylic acid?
1-[3-(trifluoromethoxy)phenyl]indazole-5-carboxylic acid has a molecular weight of 322.24 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethoxy)phenyl]indazole-5-carboxylic acid is sourced from PubChem (CID 59625943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).