3-phenylmethoxy-4-(trifluoromethyl)-1H-indazole-5-carboxylic acid

C16H11F3N2O3 — CID 141006598

IUPAC3-phenylmethoxy-4-(trifluoromethyl)-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(OCc3ccccc3)c2c1C(F)(F)F
InChIInChI=1S/C16H11F3N2O3/c17-16(18,19)13-10(15(22)23)6-7-11-12(13)14(21-20-11)24-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,20,21)(H,22,23)
InChIKeyQWGSHUMSJUDVFZ-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.86
Rot. Bonds4

About 3-phenylmethoxy-4-(trifluoromethyl)-1H-indazole-5-carboxylic acid

3-phenylmethoxy-4-(trifluoromethyl)-1H-indazole-5-carboxylic acid (PubChem CID 141006598) has the molecular formula C16H11F3N2O3 and a molecular weight of 336.27 g/mol. Its IUPAC name is 3-phenylmethoxy-4-(trifluoromethyl)-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-phenylmethoxy-4-(trifluoromethyl)-1H-indazole-5-carboxylic acid
PubChem CID141006598
Molecular FormulaC16H11F3N2O3
Molecular Weight336.27 g/mol
Exact Mass336.07
IUPAC Name3-phenylmethoxy-4-(trifluoromethyl)-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(OCc3ccccc3)c2c1C(F)(F)F
InChIInChI=1S/C16H11F3N2O3/c17-16(18,19)13-10(15(22)23)6-7-11-12(13)14(21-20-11)24-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,20,21)(H,22,23)
InChIKeyQWGSHUMSJUDVFZ-UHFFFAOYSA-N
XLogP3.86
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-phenylmethoxy-4-(trifluoromethyl)-1H-indazole-5-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

2-phenylmethoxy-3-(trifluoromethyl)benzoic acid
CID 23450801
4-phenylmethoxy-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 67852873
5-fluoro-2-phenylmethoxy-3-(trifluoromethyl)benzoic acid
CID 19888148
4-phenylmethoxy-1H-pyrazolo[4,3-c]pyridin-3-amine
CID 90462189
1-[2-chloro-4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethanone
CID 91863406
4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid
CID 175422727
3,4-difluoro-2-phenylmethoxybenzoic acid
CID 151244602
2-carboxy-5-phenylmethoxyphenolate
CID 86309199
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
2-fluoro-4-[1-(4-fluorophenyl)-4-phenylmethoxy-2-(trifluoromethyl)indol-3-yl]benzoic acid
CID 156878987
2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid
CID 68869462
methyl 3-ethyl-6-phenylmethoxy-1H-indazole-5-carboxylate
CID 140667084

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-4-(trifluoromethyl)-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-phenylmethoxy-4-(trifluoromethyl)-1H-indazole-5-carboxylic acid (CID 141006598) is 3-phenylmethoxy-4-(trifluoromethyl)-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-phenylmethoxy-4-(trifluoromethyl)-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-phenylmethoxy-4-(trifluoromethyl)-1H-indazole-5-carboxylic acid is O=C(O)c1ccc2[nH]nc(OCc3ccccc3)c2c1C(F)(F)F.
What is the InChIKey of 3-phenylmethoxy-4-(trifluoromethyl)-1H-indazole-5-carboxylic acid?
The InChIKey is QWGSHUMSJUDVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O3/c17-16(18,19)13-10(15(22)23)6-7-11-12(13)14(21-20-11)24-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,20,21)(H,22,23).
What are the key properties of 3-phenylmethoxy-4-(trifluoromethyl)-1H-indazole-5-carboxylic acid?
3-phenylmethoxy-4-(trifluoromethyl)-1H-indazole-5-carboxylic acid has a molecular weight of 336.27 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-4-(trifluoromethyl)-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 141006598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).