4-chloro-1-(2,4-difluorophenyl)-3-ethylpyrazole-5-carboxylic acid

C12H9ClF2N2O2 — CID 24729049

IUPAC4-chloro-1-(2,4-difluorophenyl)-3-ethylpyrazole-5-carboxylic acid
SMILESCCc1nn(-c2ccc(F)cc2F)c(C(=O)O)c1Cl
InChIInChI=1S/C12H9ClF2N2O2/c1-2-8-10(13)11(12(18)19)17(16-8)9-4-3-6(14)5-7(9)15/h3-5H,2H2,1H3,(H,18,19)
InChIKeyPZKLBDJNAPFGJX-UHFFFAOYSA-N
MW286.66 g/mol
LogP3.06
Rot. Bonds3

About 4-chloro-1-(2,4-difluorophenyl)-3-ethylpyrazole-5-carboxylic acid

4-chloro-1-(2,4-difluorophenyl)-3-ethylpyrazole-5-carboxylic acid (PubChem CID 24729049) has the molecular formula C12H9ClF2N2O2 and a molecular weight of 286.66 g/mol. Its IUPAC name is 4-chloro-1-(2,4-difluorophenyl)-3-ethylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-(2,4-difluorophenyl)-3-ethylpyrazole-5-carboxylic acid
PubChem CID24729049
Molecular FormulaC12H9ClF2N2O2
Molecular Weight286.66 g/mol
Exact Mass286.03
IUPAC Name4-chloro-1-(2,4-difluorophenyl)-3-ethylpyrazole-5-carboxylic acid
SMILESCCc1nn(-c2ccc(F)cc2F)c(C(=O)O)c1Cl
InChIInChI=1S/C12H9ClF2N2O2/c1-2-8-10(13)11(12(18)19)17(16-8)9-4-3-6(14)5-7(9)15/h3-5H,2H2,1H3,(H,18,19)
InChIKeyPZKLBDJNAPFGJX-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.66
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,4-difluorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid
CID 79220410
ethyl 4-bromo-1-(2,4-difluorophenyl)-3-propylpyrazole-5-carboxylate
CID 24729130
5-chloro-1-(2,4-difluorophenyl)-3-propylpyrazole-4-carbaldehyde
CID 43145574
1-(4-chloro-2-fluorophenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid
CID 43652509
1-(2,4-difluorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid
CID 63952437
4-(3,5-diethylpyrazol-1-yl)-3-fluorobenzoic acid
CID 82694333
5-chloro-1-(2,4-difluorophenyl)-3-(methoxymethyl)pyrazole-4-carbonitrile
CID 55237711
1-(2,4-dichlorophenyl)-3,5-diethylpyrazole-4-carboxylic acid
CID 107430854
2-[1-(2,4-difluorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
CID 62408163
4-bromo-5-tert-butyl-1-(2,4-difluorophenyl)pyrazole-3-carboxylic acid
CID 62875969
2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N,N-diethylacetamide
CID 55832917
3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one
CID 82421541

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,4-difluorophenyl)-3-ethylpyrazole-5-carboxylic acid?
The IUPAC name of 4-chloro-1-(2,4-difluorophenyl)-3-ethylpyrazole-5-carboxylic acid (CID 24729049) is 4-chloro-1-(2,4-difluorophenyl)-3-ethylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-1-(2,4-difluorophenyl)-3-ethylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-1-(2,4-difluorophenyl)-3-ethylpyrazole-5-carboxylic acid is CCc1nn(-c2ccc(F)cc2F)c(C(=O)O)c1Cl.
What is the InChIKey of 4-chloro-1-(2,4-difluorophenyl)-3-ethylpyrazole-5-carboxylic acid?
The InChIKey is PZKLBDJNAPFGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O2/c1-2-8-10(13)11(12(18)19)17(16-8)9-4-3-6(14)5-7(9)15/h3-5H,2H2,1H3,(H,18,19).
What are the key properties of 4-chloro-1-(2,4-difluorophenyl)-3-ethylpyrazole-5-carboxylic acid?
4-chloro-1-(2,4-difluorophenyl)-3-ethylpyrazole-5-carboxylic acid has a molecular weight of 286.66 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,4-difluorophenyl)-3-ethylpyrazole-5-carboxylic acid is sourced from PubChem (CID 24729049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).