3-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)-1H-pyrazole-5-carboxylic acid

C12H8FN3O3 — CID 117406571

IUPAC3-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)-1H-pyrazole-5-carboxylic acid
SMILESO=C1Cc2cc(F)cc(-c3cc(C(=O)O)[nH]n3)c2N1
InChIInChI=1S/C12H8FN3O3/c13-6-1-5-2-10(17)14-11(5)7(3-6)8-4-9(12(18)19)16-15-8/h1,3-4H,2H2,(H,14,17)(H,15,16)(H,18,19)
InChIKeySVGOIURUPOXPTO-UHFFFAOYSA-N
MW261.21 g/mol
LogP1.41
Rot. Bonds2

About 3-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)-1H-pyrazole-5-carboxylic acid

3-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117406571) has the molecular formula C12H8FN3O3 and a molecular weight of 261.21 g/mol. Its IUPAC name is 3-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID117406571
Molecular FormulaC12H8FN3O3
Molecular Weight261.21 g/mol
Exact Mass261.05
IUPAC Name3-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)-1H-pyrazole-5-carboxylic acid
SMILESO=C1Cc2cc(F)cc(-c3cc(C(=O)O)[nH]n3)c2N1
InChIInChI=1S/C12H8FN3O3/c13-6-1-5-2-10(17)14-11(5)7(3-6)8-4-9(12(18)19)16-15-8/h1,3-4H,2H2,(H,14,17)(H,15,16)(H,18,19)
InChIKeySVGOIURUPOXPTO-UHFFFAOYSA-N
XLogP1.41
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117406570
7-(5-amino-1,2-oxazol-3-yl)-5-fluoro-1,3-dihydroindol-2-one
CID 117337397
3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117378288
3-(3-chloro-5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136991076
3-(5-fluoro-2-methylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117383381
3-(4-carboxy-2,3-difluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117423812
3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592198
1-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)cyclobutane-1-carboxylic acid
CID 117375432
3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117470364
3-(3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1H-pyrazole-5-carboxylic acid
CID 136932425
3-(4-bromo-2,3,5-trifluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 115111378
7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 82190628

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)-1H-pyrazole-5-carboxylic acid (CID 117406571) is 3-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)-1H-pyrazole-5-carboxylic acid is O=C1Cc2cc(F)cc(-c3cc(C(=O)O)[nH]n3)c2N1.
What is the InChIKey of 3-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is SVGOIURUPOXPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O3/c13-6-1-5-2-10(17)14-11(5)7(3-6)8-4-9(12(18)19)16-15-8/h1,3-4H,2H2,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 3-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)-1H-pyrazole-5-carboxylic acid?
3-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 261.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117406571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).