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

C16H11F3N2O2 — CID 11580566

IUPAC1-[[2-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccccc2C(F)(F)F)c2ccccc12
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)12-7-3-1-5-10(12)9-21-13-8-4-2-6-11(13)14(20-21)15(22)23/h1-8H,9H2,(H,22,23)
InChIKeyBKTXRUVKOHDFAP-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.80
Rot. Bonds3

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

1-[[2-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid (PubChem CID 11580566) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid
PubChem CID11580566
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name1-[[2-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccccc2C(F)(F)F)c2ccccc12
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)12-7-3-1-5-10(12)9-21-13-8-4-2-6-11(13)14(20-21)15(22)23/h1-8H,9H2,(H,22,23)
InChIKeyBKTXRUVKOHDFAP-UHFFFAOYSA-N
XLogP3.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(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

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid?
The IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid (CID 11580566) is 1-[[2-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid.
What is the SMILES notation for 1-[[2-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid?
The canonical SMILES for 1-[[2-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid is O=C(O)c1nn(Cc2ccccc2C(F)(F)F)c2ccccc12.
What is the InChIKey of 1-[[2-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid?
The InChIKey is BKTXRUVKOHDFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)12-7-3-1-5-10(12)9-21-13-8-4-2-6-11(13)14(20-21)15(22)23/h1-8H,9H2,(H,22,23).
What are the key properties of 1-[[2-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid?
1-[[2-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid has a molecular weight of 320.27 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid is sourced from PubChem (CID 11580566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).