1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]indazole-6-carboxylic acid

C17H12F3N3O4 — CID 135345841

IUPAC1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]indazole-6-carboxylic acid
SMILESCn1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C17H12F3N3O4/c1-23-13-8-9(16(25)26)2-7-12(13)14(22-23)15(24)21-10-3-5-11(6-4-10)27-17(18,19)20/h2-8H,1H3,(H,21,24)(H,25,26)
InChIKeyJZEHZFYNSFOKFN-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.42
Rot. Bonds4

About 1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]indazole-6-carboxylic acid

1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]indazole-6-carboxylic acid (PubChem CID 135345841) has the molecular formula C17H12F3N3O4 and a molecular weight of 379.29 g/mol. Its IUPAC name is 1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]indazole-6-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]indazole-6-carboxylic acid
PubChem CID135345841
Molecular FormulaC17H12F3N3O4
Molecular Weight379.29 g/mol
Exact Mass379.08
IUPAC Name1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]indazole-6-carboxylic acid
SMILESCn1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C17H12F3N3O4/c1-23-13-8-9(16(25)26)2-7-12(13)14(22-23)15(24)21-10-3-5-11(6-4-10)27-17(18,19)20/h2-8H,1H3,(H,21,24)(H,25,26)
InChIKeyJZEHZFYNSFOKFN-UHFFFAOYSA-N
XLogP3.42
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]indazole-6-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

4-fluoro-6-formyl-1-methyl-N-[4-(trifluoromethoxy)phenyl]indazole-3-carboxamide
CID 135345831
1-methyl-6-[[(2-propan-2-ylphenyl)carbamothioylhydrazinylidene]methyl]-N-[4-(trifluoromethoxy)phenyl]indazole-3-carboxamide
CID 142438369
2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19481229
1-methyl-N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477475
3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 23633123
1-methyl-3-[[4-(trifluoromethoxy)benzoyl]amino]indazole-6-carbonyl azide
CID 135345807
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562
4-oxo-3-pentyl-N-[4-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide
CID 7957140
3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride
CID 67278377
4-chloro-1-methyl-N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481523

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]indazole-6-carboxylic acid?
The IUPAC name of 1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]indazole-6-carboxylic acid (CID 135345841) is 1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]indazole-6-carboxylic acid.
What is the SMILES notation for 1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]indazole-6-carboxylic acid?
The canonical SMILES for 1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]indazole-6-carboxylic acid is Cn1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccc(C(=O)O)cc21.
What is the InChIKey of 1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]indazole-6-carboxylic acid?
The InChIKey is JZEHZFYNSFOKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O4/c1-23-13-8-9(16(25)26)2-7-12(13)14(22-23)15(24)21-10-3-5-11(6-4-10)27-17(18,19)20/h2-8H,1H3,(H,21,24)(H,25,26).
What are the key properties of 1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]indazole-6-carboxylic acid?
1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]indazole-6-carboxylic acid has a molecular weight of 379.29 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]indazole-6-carboxylic acid is sourced from PubChem (CID 135345841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).