5-(2-chloro-3-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid

C12H11ClN2O3 — CID 117420559

IUPAC5-(2-chloro-3-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)nn2C)c(Cl)c1O
InChIInChI=1S/C12H11ClN2O3/c1-6-3-4-7(10(13)11(6)16)9-5-8(12(17)18)14-15(9)2/h3-5,16H,1-2H3,(H,17,18)
InChIKeyYZOVEGKKDXDBQP-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.45
Rot. Bonds2

About 5-(2-chloro-3-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid

5-(2-chloro-3-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 117420559) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 5-(2-chloro-3-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-3-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
PubChem CID117420559
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name5-(2-chloro-3-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)nn2C)c(Cl)c1O
InChIInChI=1S/C12H11ClN2O3/c1-6-3-4-7(10(13)11(6)16)9-5-8(12(17)18)14-15(9)2/h3-5,16H,1-2H3,(H,17,18)
InChIKeyYZOVEGKKDXDBQP-UHFFFAOYSA-N
XLogP2.45
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chloro-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117380089
5-(3-fluoro-2-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136998100
5-(2,3-difluoro-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117383215
5-(2-chloro-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117416122
5-(3-chloro-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 168912055
1-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)pyrazole-3-carboxylic acid
CID 117394178
5-(3-chloro-2-hydroxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 137003429
5-(5-chloro-3-fluoro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136992126
5-(5-chloro-2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117425068
5-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazole-3-carboxylic acid
CID 117373140
5-(3-chloro-5-fluoro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136992118
5-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)-1-methylpyrazole-3-carboxylic acid
CID 135547041

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(2-chloro-3-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid (CID 117420559) is 5-(2-chloro-3-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-3-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2-chloro-3-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)nn2C)c(Cl)c1O.
What is the InChIKey of 5-(2-chloro-3-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is YZOVEGKKDXDBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-6-3-4-7(10(13)11(6)16)9-5-8(12(17)18)14-15(9)2/h3-5,16H,1-2H3,(H,17,18).
What are the key properties of 5-(2-chloro-3-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid?
5-(2-chloro-3-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 266.68 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3-hydroxy-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 117420559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).