2-amino-5-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid

C13H12F3N3O2 — CID 151090699

IUPAC2-amino-5-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid
SMILESCc1cc(-c2cc(C(=O)O)c(N)cc2C(F)(F)F)n(C)n1
InChIInChI=1S/C13H12F3N3O2/c1-6-3-11(19(2)18-6)7-4-8(12(20)21)10(17)5-9(7)13(14,15)16/h3-5H,17H2,1-2H3,(H,20,21)
InChIKeyMMBGIUJAXPOPEC-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.69
Rot. Bonds2

About 2-amino-5-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid

2-amino-5-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid (PubChem CID 151090699) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 2-amino-5-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid
PubChem CID151090699
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name2-amino-5-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid
SMILESCc1cc(-c2cc(C(=O)O)c(N)cc2C(F)(F)F)n(C)n1
InChIInChI=1S/C13H12F3N3O2/c1-6-3-11(19(2)18-6)7-4-8(12(20)21)10(17)5-9(7)13(14,15)16/h3-5H,17H2,1-2H3,(H,20,21)
InChIKeyMMBGIUJAXPOPEC-UHFFFAOYSA-N
XLogP2.69
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-5-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)benzoic 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-amino-5-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid
CID 151139228
2-[5-[4-amino-5-methoxycarbonyl-2-(trifluoromethyl)phenyl]-3-methylpyrazol-1-yl]ethoxymethyl-dimethylsulfanium
CID 153050133
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid
CID 81345916
5-amino-1,3-dimethylindazole-6-carboxylic acid
CID 84722038
2-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 66128650
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid
CID 81346605
5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid
CID 97034386
5-[2-hydroxy-3-methoxy-4-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 136995053
4-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 66127157
4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)benzoic acid
CID 171393077
6-(2,5-dimethylpyrazol-3-yl)pyrimidine-4-carboxylic acid
CID 121206397
2,4-dimethyl-5-[4-(trifluoromethyl)-3-pyridinyl]benzoic acid
CID 107515751

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-amino-5-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid (CID 151090699) is 2-amino-5-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-amino-5-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-amino-5-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid is Cc1cc(-c2cc(C(=O)O)c(N)cc2C(F)(F)F)n(C)n1.
What is the InChIKey of 2-amino-5-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid?
The InChIKey is MMBGIUJAXPOPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-6-3-11(19(2)18-6)7-4-8(12(20)21)10(17)5-9(7)13(14,15)16/h3-5H,17H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-5-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid?
2-amino-5-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid has a molecular weight of 299.25 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,5-dimethylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 151090699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).