5-[1-(2,6-difluorophenyl)-6-methoxyindazol-5-yl]-1-methylpyrazole-3-carboxylic acid

C19H14F2N4O3 — CID 118163899

IUPAC5-[1-(2,6-difluorophenyl)-6-methoxyindazol-5-yl]-1-methylpyrazole-3-carboxylic acid
SMILESCOc1cc2c(cnn2-c2c(F)cccc2F)cc1-c1cc(C(=O)O)nn1C
InChIInChI=1S/C19H14F2N4O3/c1-24-16(7-14(23-24)19(26)27)11-6-10-9-22-25(15(10)8-17(11)28-2)18-12(20)4-3-5-13(18)21/h3-9H,1-2H3,(H,26,27)
InChIKeyUJZUFLMENDVTHK-UHFFFAOYSA-N
MW384.34 g/mol
LogP3.41
Rot. Bonds4

About 5-[1-(2,6-difluorophenyl)-6-methoxyindazol-5-yl]-1-methylpyrazole-3-carboxylic acid

5-[1-(2,6-difluorophenyl)-6-methoxyindazol-5-yl]-1-methylpyrazole-3-carboxylic acid (PubChem CID 118163899) has the molecular formula C19H14F2N4O3 and a molecular weight of 384.34 g/mol. Its IUPAC name is 5-[1-(2,6-difluorophenyl)-6-methoxyindazol-5-yl]-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2,6-difluorophenyl)-6-methoxyindazol-5-yl]-1-methylpyrazole-3-carboxylic acid
PubChem CID118163899
Molecular FormulaC19H14F2N4O3
Molecular Weight384.34 g/mol
Exact Mass384.10
IUPAC Name5-[1-(2,6-difluorophenyl)-6-methoxyindazol-5-yl]-1-methylpyrazole-3-carboxylic acid
SMILESCOc1cc2c(cnn2-c2c(F)cccc2F)cc1-c1cc(C(=O)O)nn1C
InChIInChI=1S/C19H14F2N4O3/c1-24-16(7-14(23-24)19(26)27)11-6-10-9-22-25(15(10)8-17(11)28-2)18-12(20)4-3-5-13(18)21/h3-9H,1-2H3,(H,26,27)
InChIKeyUJZUFLMENDVTHK-UHFFFAOYSA-N
XLogP3.41
TPSA82.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-difluorophenyl)-6-methoxyindazol-5-yl]-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[1-(2,6-difluorophenyl)-6-methoxyindazol-5-yl]-1-methylpyrazole-3-carboxylic acid (CID 118163899) is 5-[1-(2,6-difluorophenyl)-6-methoxyindazol-5-yl]-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[1-(2,6-difluorophenyl)-6-methoxyindazol-5-yl]-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[1-(2,6-difluorophenyl)-6-methoxyindazol-5-yl]-1-methylpyrazole-3-carboxylic acid is COc1cc2c(cnn2-c2c(F)cccc2F)cc1-c1cc(C(=O)O)nn1C.
What is the InChIKey of 5-[1-(2,6-difluorophenyl)-6-methoxyindazol-5-yl]-1-methylpyrazole-3-carboxylic acid?
The InChIKey is UJZUFLMENDVTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O3/c1-24-16(7-14(23-24)19(26)27)11-6-10-9-22-25(15(10)8-17(11)28-2)18-12(20)4-3-5-13(18)21/h3-9H,1-2H3,(H,26,27).
What are the key properties of 5-[1-(2,6-difluorophenyl)-6-methoxyindazol-5-yl]-1-methylpyrazole-3-carboxylic acid?
5-[1-(2,6-difluorophenyl)-6-methoxyindazol-5-yl]-1-methylpyrazole-3-carboxylic acid has a molecular weight of 384.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-difluorophenyl)-6-methoxyindazol-5-yl]-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 118163899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).