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

C14H15FN2O2 — CID 82694333

IUPAC4-(3,5-diethylpyrazol-1-yl)-3-fluorobenzoic acid
SMILESCCc1cc(CC)n(-c2ccc(C(=O)O)cc2F)n1
InChIInChI=1S/C14H15FN2O2/c1-3-10-8-11(4-2)17(16-10)13-6-5-9(14(18)19)7-12(13)15/h5-8H,3-4H2,1-2H3,(H,18,19)
InChIKeyXZFFKUXVTLVINX-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.83
Rot. Bonds4

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

4-(3,5-diethylpyrazol-1-yl)-3-fluorobenzoic acid (PubChem CID 82694333) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-(3,5-diethylpyrazol-1-yl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(3,5-diethylpyrazol-1-yl)-3-fluorobenzoic acid
PubChem CID82694333
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name4-(3,5-diethylpyrazol-1-yl)-3-fluorobenzoic acid
SMILESCCc1cc(CC)n(-c2ccc(C(=O)O)cc2F)n1
InChIInChI=1S/C14H15FN2O2/c1-3-10-8-11(4-2)17(16-10)13-6-5-9(14(18)19)7-12(13)15/h5-8H,3-4H2,1-2H3,(H,18,19)
InChIKeyXZFFKUXVTLVINX-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-diethylpyrazol-1-yl)benzoic acid
CID 82695411
5-bromo-2-(3,5-diethylpyrazol-1-yl)benzoic acid
CID 114896077
1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 82695072
3-chloro-4-(3,5-diethylpyrazol-1-yl)benzamide
CID 82700552
6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxylic acid
CID 82693003
3-fluoro-4-(5-propyltetrazol-1-yl)benzoic acid
CID 63189878
4-(4-ethylpiperazin-1-yl)-3-fluorobenzoic acid
CID 28604489
[2-(3,5-diethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine
CID 82696807
(1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol
CID 82695199
(1R)-1-[2-(3,5-diethylpyrazol-1-yl)-5-fluoro-4-methylphenyl]ethanol
CID 82694994
3-fluoro-4-pyrrolidin-1-ylbenzoic acid
CID 28604177
2-[3-ethyl-1-(2-fluorophenyl)pyrazol-5-yl]sulfanylacetic acid
CID 62408165

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diethylpyrazol-1-yl)-3-fluorobenzoic acid?
The IUPAC name of 4-(3,5-diethylpyrazol-1-yl)-3-fluorobenzoic acid (CID 82694333) is 4-(3,5-diethylpyrazol-1-yl)-3-fluorobenzoic acid.
What is the SMILES notation for 4-(3,5-diethylpyrazol-1-yl)-3-fluorobenzoic acid?
The canonical SMILES for 4-(3,5-diethylpyrazol-1-yl)-3-fluorobenzoic acid is CCc1cc(CC)n(-c2ccc(C(=O)O)cc2F)n1.
What is the InChIKey of 4-(3,5-diethylpyrazol-1-yl)-3-fluorobenzoic acid?
The InChIKey is XZFFKUXVTLVINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-3-10-8-11(4-2)17(16-10)13-6-5-9(14(18)19)7-12(13)15/h5-8H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 4-(3,5-diethylpyrazol-1-yl)-3-fluorobenzoic acid?
4-(3,5-diethylpyrazol-1-yl)-3-fluorobenzoic acid has a molecular weight of 262.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diethylpyrazol-1-yl)-3-fluorobenzoic acid is sourced from PubChem (CID 82694333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).