1-(2,4-dichlorophenyl)-5-ethylpyrazole-4-carboxylic acid

C12H10Cl2N2O2 — CID 28606400

IUPAC1-(2,4-dichlorophenyl)-5-ethylpyrazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)cnn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-2-10-8(12(17)18)6-15-16(10)11-4-3-7(13)5-9(11)14/h3-6H,2H2,1H3,(H,17,18)
InChIKeySCHRBFICOCNDAU-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.44
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-5-ethylpyrazole-4-carboxylic acid

1-(2,4-dichlorophenyl)-5-ethylpyrazole-4-carboxylic acid (PubChem CID 28606400) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-5-ethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-5-ethylpyrazole-4-carboxylic acid
PubChem CID28606400
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name1-(2,4-dichlorophenyl)-5-ethylpyrazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)cnn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-2-10-8(12(17)18)6-15-16(10)11-4-3-7(13)5-9(11)14/h3-6H,2H2,1H3,(H,17,18)
InChIKeySCHRBFICOCNDAU-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-5-ethylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(2,4-dichlorophenyl)-5-ethylpyrazole-4-carboxylic acid (CID 28606400) is 1-(2,4-dichlorophenyl)-5-ethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-5-ethylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2,4-dichlorophenyl)-5-ethylpyrazole-4-carboxylic acid is CCc1c(C(=O)O)cnn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-5-ethylpyrazole-4-carboxylic acid?
The InChIKey is SCHRBFICOCNDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-2-10-8(12(17)18)6-15-16(10)11-4-3-7(13)5-9(11)14/h3-6H,2H2,1H3,(H,17,18).
What are the key properties of 1-(2,4-dichlorophenyl)-5-ethylpyrazole-4-carboxylic acid?
1-(2,4-dichlorophenyl)-5-ethylpyrazole-4-carboxylic acid has a molecular weight of 285.13 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-5-ethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 28606400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).