5-(2,3,4-trifluorophenyl)-1H-pyrazole-4-carboxylic acid

C10H5F3N2O2 — CID 83810704

IUPAC5-(2,3,4-trifluorophenyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1-c1ccc(F)c(F)c1F
InChIInChI=1S/C10H5F3N2O2/c11-6-2-1-4(7(12)8(6)13)9-5(10(16)17)3-14-15-9/h1-3H,(H,14,15)(H,16,17)
InChIKeyTUVZJUSDTFGKSW-UHFFFAOYSA-N
MW242.16 g/mol
LogP2.19
Rot. Bonds2

About 5-(2,3,4-trifluorophenyl)-1H-pyrazole-4-carboxylic acid

5-(2,3,4-trifluorophenyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 83810704) has the molecular formula C10H5F3N2O2 and a molecular weight of 242.16 g/mol. Its IUPAC name is 5-(2,3,4-trifluorophenyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,3,4-trifluorophenyl)-1H-pyrazole-4-carboxylic acid
PubChem CID83810704
Molecular FormulaC10H5F3N2O2
Molecular Weight242.16 g/mol
Exact Mass242.03
IUPAC Name5-(2,3,4-trifluorophenyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1-c1ccc(F)c(F)c1F
InChIInChI=1S/C10H5F3N2O2/c11-6-2-1-4(7(12)8(6)13)9-5(10(16)17)3-14-15-9/h1-3H,(H,14,15)(H,16,17)
InChIKeyTUVZJUSDTFGKSW-UHFFFAOYSA-N
XLogP2.19
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5-(2,3,4-trifluorophenyl)-1H-pyrazole-4-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 5-(2,3,4-trifluorophenyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(2,3,4-trifluorophenyl)-1H-pyrazole-4-carboxylic acid (CID 83810704) is 5-(2,3,4-trifluorophenyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,3,4-trifluorophenyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2,3,4-trifluorophenyl)-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1-c1ccc(F)c(F)c1F.
What is the InChIKey of 5-(2,3,4-trifluorophenyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is TUVZJUSDTFGKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O2/c11-6-2-1-4(7(12)8(6)13)9-5(10(16)17)3-14-15-9/h1-3H,(H,14,15)(H,16,17).
What are the key properties of 5-(2,3,4-trifluorophenyl)-1H-pyrazole-4-carboxylic acid?
5-(2,3,4-trifluorophenyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 242.16 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4-trifluorophenyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 83810704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).