2-(2-methoxyphenyl)pyrazole-3-carboxylic acid

C11H10N2O3 — CID 83864543

IUPAC2-(2-methoxyphenyl)pyrazole-3-carboxylic acid
SMILESCOc1ccccc1-n1nccc1C(=O)O
InChIInChI=1S/C11H10N2O3/c1-16-10-5-3-2-4-8(10)13-9(11(14)15)6-7-12-13/h2-7H,1H3,(H,14,15)
InChIKeyUHDGSDPPGJSLFP-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.58
Rot. Bonds3

About 2-(2-methoxyphenyl)pyrazole-3-carboxylic acid

2-(2-methoxyphenyl)pyrazole-3-carboxylic acid (PubChem CID 83864543) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyphenyl)pyrazole-3-carboxylic acid
PubChem CID83864543
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-(2-methoxyphenyl)pyrazole-3-carboxylic acid
SMILESCOc1ccccc1-n1nccc1C(=O)O
InChIInChI=1S/C11H10N2O3/c1-16-10-5-3-2-4-8(10)13-9(11(14)15)6-7-12-13/h2-7H,1H3,(H,14,15)
InChIKeyUHDGSDPPGJSLFP-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate
CID 239538
1-Phenyl-1H-pyrazole-5-carboxylic acid
CID 237056
1-ethyl-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 892441
1-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 5169045
3-(2-Methoxy-phenylcarbamoyl)-pyrazole-1-carboxylic acid butyl ester
CID 654121
Ethyl 1-(4-ethoxyphenyl)-4-hydroxy-1H-pyrazole-3-carboxylate
CID 730289
Ethyl 1-(4-ethoxyphenyl)-1H-pyrazole-3-carboxylate
CID 71699715
Ethyl 4-hydroxy-1-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 730287
1-(4-Methoxyphenyl)-3-methyl-1H-pyrazole-5-carboxylic acid
CID 2769599
Ethyl 1-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxylate
CID 4068595
4-methoxy-1-phenyl-1H-pyrazole-3-carboxylic acid
CID 4962236
1-(4-methoxyphenyl)-1H-pyrazole-3-carboxylic acid
CID 28974022

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 2-(2-methoxyphenyl)pyrazole-3-carboxylic acid (CID 83864543) is 2-(2-methoxyphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 2-(2-methoxyphenyl)pyrazole-3-carboxylic acid is COc1ccccc1-n1nccc1C(=O)O.
What is the InChIKey of 2-(2-methoxyphenyl)pyrazole-3-carboxylic acid?
The InChIKey is UHDGSDPPGJSLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-10-5-3-2-4-8(10)13-9(11(14)15)6-7-12-13/h2-7H,1H3,(H,14,15).
What are the key properties of 2-(2-methoxyphenyl)pyrazole-3-carboxylic acid?
2-(2-methoxyphenyl)pyrazole-3-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 83864543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).