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

C11H9ClN2O3 — CID 3313057

IUPAC3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(Cl)cc1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C11H9ClN2O3/c1-17-10-3-2-6(12)4-7(10)8-5-9(11(15)16)14-13-8/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyRKLGPWSFWRVGBA-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.44
Rot. Bonds3

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

3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 3313057) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID3313057
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Name3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(Cl)cc1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C11H9ClN2O3/c1-17-10-3-2-6(12)4-7(10)8-5-9(11(15)16)14-13-8/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyRKLGPWSFWRVGBA-UHFFFAOYSA-N
XLogP2.44
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117472623
3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117378395
3-(5-cyclohexyl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117484165
3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117478380
3-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 106514741
3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one
CID 82446407
3-(3-bromo-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117495839
3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one
CID 82446409
3-(2-fluoro-3,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117419215
3-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117449673
3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336070
3-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111366

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 3313057) is 3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid is COc1ccc(Cl)cc1-c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is RKLGPWSFWRVGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-17-10-3-2-6(12)4-7(10)8-5-9(11(15)16)14-13-8/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid?
3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 252.66 g/mol, XLogP of 2.44, 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-methoxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 3313057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).