5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid

C12H11FN2O3 — CID 68642030

IUPAC5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCOc1cc(F)ccc1-c1cc(C(=O)O)nn1C
InChIInChI=1S/C12H11FN2O3/c1-15-10(6-9(14-15)12(16)17)8-4-3-7(13)5-11(8)18-2/h3-6H,1-2H3,(H,16,17)
InChIKeyMTOMZNVRXLAJCM-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.93
Rot. Bonds3

About 5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid

5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 68642030) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
PubChem CID68642030
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCOc1cc(F)ccc1-c1cc(C(=O)O)nn1C
InChIInChI=1S/C12H11FN2O3/c1-15-10(6-9(14-15)12(16)17)8-4-3-7(13)5-11(8)18-2/h3-6H,1-2H3,(H,16,17)
InChIKeyMTOMZNVRXLAJCM-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid (CID 68642030) is 5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid is COc1cc(F)ccc1-c1cc(C(=O)O)nn1C.
What is the InChIKey of 5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is MTOMZNVRXLAJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-15-10(6-9(14-15)12(16)17)8-4-3-7(13)5-11(8)18-2/h3-6H,1-2H3,(H,16,17).
What are the key properties of 5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 250.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 68642030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).