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

C11H8ClFN2O3 — CID 7017348

IUPAC4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(COc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C11H8ClFN2O3/c12-9-5-15(14-10(9)11(16)17)6-18-8-3-1-7(13)2-4-8/h1-5H,6H2,(H,16,17)
InChIKeyMHFVMDJIDYQZNY-UHFFFAOYSA-N
MW270.65 g/mol
LogP2.41
Rot. Bonds4

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

4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid (PubChem CID 7017348) has the molecular formula C11H8ClFN2O3 and a molecular weight of 270.65 g/mol. Its IUPAC name is 4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
PubChem CID7017348
Molecular FormulaC11H8ClFN2O3
Molecular Weight270.65 g/mol
Exact Mass270.02
IUPAC Name4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(COc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C11H8ClFN2O3/c12-9-5-15(14-10(9)11(16)17)6-18-8-3-1-7(13)2-4-8/h1-5H,6H2,(H,16,17)
InChIKeyMHFVMDJIDYQZNY-UHFFFAOYSA-N
XLogP2.41
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.65
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618755
4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618765
4-chloro-1-[(4-nitrophenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618781
4-chloro-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618768
4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid
CID 19618760
4-chloro-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618737
4-chloro-1-[(3-methylphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618777
4-chloro-1-[(4-methylphenoxy)methyl]pyrazole-3-carbohydrazide
CID 19618842
1-[(3-chloro-4-fluorophenoxy)methyl]-4-nitropyrazole-3-carboxylic acid
CID 19618872
1-[(3-chloro-4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 7017307
N-(2,6-dichlorophenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269237
4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbohydrazide
CID 19618822

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid?
The IUPAC name of 4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid (CID 7017348) is 4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid is O=C(O)c1nn(COc2ccc(F)cc2)cc1Cl.
What is the InChIKey of 4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid?
The InChIKey is MHFVMDJIDYQZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O3/c12-9-5-15(14-10(9)11(16)17)6-18-8-3-1-7(13)2-4-8/h1-5H,6H2,(H,16,17).
What are the key properties of 4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid?
4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid has a molecular weight of 270.65 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 7017348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).