4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid

C11H8Cl2N2O3 — CID 19618765

IUPAC4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(COc2ccccc2Cl)cc1Cl
InChIInChI=1S/C11H8Cl2N2O3/c12-7-3-1-2-4-9(7)18-6-15-5-8(13)10(14-15)11(16)17/h1-5H,6H2,(H,16,17)
InChIKeyRUGFYICDZPHYEG-UHFFFAOYSA-N
MW287.10 g/mol
LogP2.92
Rot. Bonds4

About 4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid

4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid (PubChem CID 19618765) has the molecular formula C11H8Cl2N2O3 and a molecular weight of 287.10 g/mol. Its IUPAC name is 4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid
PubChem CID19618765
Molecular FormulaC11H8Cl2N2O3
Molecular Weight287.10 g/mol
Exact Mass285.99
IUPAC Name4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(COc2ccccc2Cl)cc1Cl
InChIInChI=1S/C11H8Cl2N2O3/c12-7-3-1-2-4-9(7)18-6-15-5-8(13)10(14-15)11(16)17/h1-5H,6H2,(H,16,17)
InChIKeyRUGFYICDZPHYEG-UHFFFAOYSA-N
XLogP2.92
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618737
4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 7017348
4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618755
4-chloro-1-[(3-methylphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618777
4-chloro-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618768
4-chloro-1-[(4-nitrophenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618781
4-chloro-1-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618748
4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid
CID 19618760
[1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-imidazol-1-ylmethanone
CID 35528279
[1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19472452
4-chloro-1-(2-methoxyethyl)pyrazole-3-carboxylic acid
CID 155291531
1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 4774958

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid?
The IUPAC name of 4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid (CID 19618765) is 4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid is O=C(O)c1nn(COc2ccccc2Cl)cc1Cl.
What is the InChIKey of 4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid?
The InChIKey is RUGFYICDZPHYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O3/c12-7-3-1-2-4-9(7)18-6-15-5-8(13)10(14-15)11(16)17/h1-5H,6H2,(H,16,17).
What are the key properties of 4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid?
4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid has a molecular weight of 287.10 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19618765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).