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

C10H4ClF3N2O2 — CID 113373696

IUPAC5-chloro-1-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cc(F)c(F)c(F)c2)c1Cl
InChIInChI=1S/C10H4ClF3N2O2/c11-9-5(10(17)18)3-15-16(9)4-1-6(12)8(14)7(13)2-4/h1-3H,(H,17,18)
InChIKeyWWCZKPLBFMQBTR-UHFFFAOYSA-N
MW276.60 g/mol
LogP2.64
Rot. Bonds2

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

5-chloro-1-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid (PubChem CID 113373696) has the molecular formula C10H4ClF3N2O2 and a molecular weight of 276.60 g/mol. Its IUPAC name is 5-chloro-1-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid
PubChem CID113373696
Molecular FormulaC10H4ClF3N2O2
Molecular Weight276.60 g/mol
Exact Mass275.99
IUPAC Name5-chloro-1-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cc(F)c(F)c(F)c2)c1Cl
InChIInChI=1S/C10H4ClF3N2O2/c11-9-5(10(17)18)3-15-16(9)4-1-6(12)8(14)7(13)2-4/h1-3H,(H,17,18)
InChIKeyWWCZKPLBFMQBTR-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-1-(3,4,5-trifluorophenyl)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

Related Compounds

4-chloro-5-methyl-1-(3,4,5-trifluorophenyl)pyrazole-3-carboxylic acid
CID 79194285
5-chloro-1-(4,6-dimethyl-2-pyridinyl)pyrazole-4-carboxylic acid
CID 174537648
1-methyl-5-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid
CID 167964096
5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 73254444
5-(difluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazol-4-amine
CID 79200172
1-(3,4,5-trifluorophenyl)benzotriazole-4-carboxylic acid
CID 115541874
5-bromo-1-(2,4,5-trifluorophenyl)pyrazole-4-carboxylic acid
CID 113373692
5-methyl-1-(3,4,5-trifluorophenyl)triazole-4-carboxylic acid
CID 56828976
5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid
CID 115034303
5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxamide
CID 83241101
1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 28606324
1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carboxylic acid
CID 71255447

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-chloro-1-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid (CID 113373696) is 5-chloro-1-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-1-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-1-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2cc(F)c(F)c(F)c2)c1Cl.
What is the InChIKey of 5-chloro-1-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid?
The InChIKey is WWCZKPLBFMQBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF3N2O2/c11-9-5(10(17)18)3-15-16(9)4-1-6(12)8(14)7(13)2-4/h1-3H,(H,17,18).
What are the key properties of 5-chloro-1-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid?
5-chloro-1-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid has a molecular weight of 276.60 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 113373696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).