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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Related Compounds

1H-Indazole-5-acetic acid, 4-methoxy-1-phenyl-, methyl ester
CID 378733
1H-Indazole-5-acetic acid, 4-methoxy-1-phenyl-
CID 3072445
1-((4-methoxyphenyl)methyl)-1H-indazole-3-carboxylic acid
CID 17859444
3-(1-(4-Fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)benzoic acid
CID 163233990
2-[1-Methyl-6-[2-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]propoxy]indol-3-yl]acetic acid
CID 10412476
2-[3-[6-(1,1-Difluoro-2-hydroxyethyl)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]acetic acid
CID 57565006
2-[1-methyl-6-[(2S)-2-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]propoxy]indol-3-yl]acetic acid
CID 57675466
Methyl 4-methoxy-1-[3,3,3-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-2-hydroxypropyl]indole-2-carboxylate
CID 57943579
Methyl 6-methoxy-1-[3,3,3-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-2-hydroxypropyl]indole-2-carboxylate
CID 57943855
1-(3-Methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid
CID 58345435
6-[[1-[2-(Dimethylamino)ethyl]-6-fluoroindazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid
CID 58371506
4-Fluoro-6-[(6-fluoro-1-methylindazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid
CID 58371607

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).