3-(1,4-diethylpyrazol-3-yl)-5-fluorobenzoic acid

C14H15FN2O2 — CID 164527581

IUPAC3-(1,4-diethylpyrazol-3-yl)-5-fluorobenzoic acid
SMILESCCc1cn(CC)nc1-c1cc(F)cc(C(=O)O)c1
InChIInChI=1S/C14H15FN2O2/c1-3-9-8-17(4-2)16-13(9)10-5-11(14(18)19)7-12(15)6-10/h5-8H,3-4H2,1-2H3,(H,18,19)
InChIKeyZISOKZVGKUAQDJ-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.97
Rot. Bonds4

About 3-(1,4-diethylpyrazol-3-yl)-5-fluorobenzoic acid

3-(1,4-diethylpyrazol-3-yl)-5-fluorobenzoic acid (PubChem CID 164527581) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 3-(1,4-diethylpyrazol-3-yl)-5-fluorobenzoic acid.

Molecular Properties

Compound Name3-(1,4-diethylpyrazol-3-yl)-5-fluorobenzoic acid
PubChem CID164527581
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name3-(1,4-diethylpyrazol-3-yl)-5-fluorobenzoic acid
SMILESCCc1cn(CC)nc1-c1cc(F)cc(C(=O)O)c1
InChIInChI=1S/C14H15FN2O2/c1-3-9-8-17(4-2)16-13(9)10-5-11(14(18)19)7-12(15)6-10/h5-8H,3-4H2,1-2H3,(H,18,19)
InChIKeyZISOKZVGKUAQDJ-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,4-diethylpyrazol-3-yl)-5-fluorobenzoic 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

3-(3-ethylimidazol-4-yl)-5-fluorobenzoic acid
CID 164526864
3-(4-ethyl-3-pyridinyl)-5-fluorobenzoic acid
CID 164527790
3-(3-ethyltriazol-4-yl)-5-fluorobenzoic acid
CID 164526906
3-[6-(3-carboxy-5-fluorophenyl)-1,2,4,5-tetrazin-3-yl]-5-(18F)fluoro(18F)benzoic acid
CID 176800034
3-(2-ethyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)-5-fluorobenzoic acid
CID 136770477
3-(4-chloro-1-ethylpyrazol-5-yl)-5-fluorobenzoic acid
CID 164526916
3-[1-ethyl-4-(trifluoromethyl)pyrazol-5-yl]-5-fluorobenzoic acid
CID 164527031
3-(2-ethylfuran-3-yl)-5-fluorobenzoic acid
CID 164526975
3-(3-bromo-4-fluorophenyl)-1-ethylpyrazole-4-carboxylic acid
CID 62913906
5-(3-carboxy-5-fluorophenyl)pyridine-3-carboxylic acid
CID 53223804
3-[4-(carboxymethyl)phenyl]-5-fluorobenzoic acid
CID 70699869
1,4-diethyl-3-(trifluoromethyl)pyrazole
CID 155736271

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-diethylpyrazol-3-yl)-5-fluorobenzoic acid?
The IUPAC name of 3-(1,4-diethylpyrazol-3-yl)-5-fluorobenzoic acid (CID 164527581) is 3-(1,4-diethylpyrazol-3-yl)-5-fluorobenzoic acid.
What is the SMILES notation for 3-(1,4-diethylpyrazol-3-yl)-5-fluorobenzoic acid?
The canonical SMILES for 3-(1,4-diethylpyrazol-3-yl)-5-fluorobenzoic acid is CCc1cn(CC)nc1-c1cc(F)cc(C(=O)O)c1.
What is the InChIKey of 3-(1,4-diethylpyrazol-3-yl)-5-fluorobenzoic acid?
The InChIKey is ZISOKZVGKUAQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-3-9-8-17(4-2)16-13(9)10-5-11(14(18)19)7-12(15)6-10/h5-8H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 3-(1,4-diethylpyrazol-3-yl)-5-fluorobenzoic acid?
3-(1,4-diethylpyrazol-3-yl)-5-fluorobenzoic acid has a molecular weight of 262.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-diethylpyrazol-3-yl)-5-fluorobenzoic acid is sourced from PubChem (CID 164527581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).