2-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid

C18H15F3N2O2 — CID 155391692

IUPAC2-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid
SMILESCCn1nc2cccc(Cc3ccc(C(F)(F)F)cc3)c2c1C(=O)O
InChIInChI=1S/C18H15F3N2O2/c1-2-23-16(17(24)25)15-12(4-3-5-14(15)22-23)10-11-6-8-13(9-7-11)18(19,20)21/h3-9H,2,10H2,1H3,(H,24,25)
InChIKeyGRGLKOQFZZMTFV-UHFFFAOYSA-N
MW348.32 g/mol
LogP4.36
Rot. Bonds4

About 2-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid

2-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid (PubChem CID 155391692) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is 2-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid
PubChem CID155391692
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name2-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid
SMILESCCn1nc2cccc(Cc3ccc(C(F)(F)F)cc3)c2c1C(=O)O
InChIInChI=1S/C18H15F3N2O2/c1-2-23-16(17(24)25)15-12(4-3-5-14(15)22-23)10-11-6-8-13(9-7-11)18(19,20)21/h3-9H,2,10H2,1H3,(H,24,25)
InChIKeyGRGLKOQFZZMTFV-UHFFFAOYSA-N
XLogP4.36
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid?
The IUPAC name of 2-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid (CID 155391692) is 2-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid?
The canonical SMILES for 2-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid is CCn1nc2cccc(Cc3ccc(C(F)(F)F)cc3)c2c1C(=O)O.
What is the InChIKey of 2-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid?
The InChIKey is GRGLKOQFZZMTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-2-23-16(17(24)25)15-12(4-3-5-14(15)22-23)10-11-6-8-13(9-7-11)18(19,20)21/h3-9H,2,10H2,1H3,(H,24,25).
What are the key properties of 2-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid?
2-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid has a molecular weight of 348.32 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid is sourced from PubChem (CID 155391692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).