3-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid

C11H8ClFN2O3 — CID 117429462

IUPAC3-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1cc(F)c(-c2cc(C(=O)O)[nH]n2)cc1Cl
InChIInChI=1S/C11H8ClFN2O3/c1-18-10-3-7(13)5(2-6(10)12)8-4-9(11(16)17)15-14-8/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyUNZHWDTYBYSNCR-UHFFFAOYSA-N
MW270.65 g/mol
LogP2.58
Rot. Bonds3

About 3-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid

3-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117429462) has the molecular formula C11H8ClFN2O3 and a molecular weight of 270.65 g/mol. Its IUPAC name is 3-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117429462
Molecular FormulaC11H8ClFN2O3
Molecular Weight270.65 g/mol
Exact Mass270.02
IUPAC Name3-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1cc(F)c(-c2cc(C(=O)O)[nH]n2)cc1Cl
InChIInChI=1S/C11H8ClFN2O3/c1-18-10-3-7(13)5(2-6(10)12)8-4-9(11(16)17)15-14-8/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyUNZHWDTYBYSNCR-UHFFFAOYSA-N
XLogP2.58
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.65
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 117429462) is 3-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid is COc1cc(F)c(-c2cc(C(=O)O)[nH]n2)cc1Cl.
What is the InChIKey of 3-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is UNZHWDTYBYSNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O3/c1-18-10-3-7(13)5(2-6(10)12)8-4-9(11(16)17)15-14-8/h2-4H,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
3-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 270.65 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117429462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).