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

C12H8FN3O3 — CID 117406570

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

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

3-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117406570) has the molecular formula C12H8FN3O3 and a molecular weight of 261.21 g/mol. Its IUPAC name is 3-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID117406570
Molecular FormulaC12H8FN3O3
Molecular Weight261.21 g/mol
Exact Mass261.05
IUPAC Name3-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-5-carboxylic acid
SMILESO=C1Cc2cc(-c3cc(C(=O)O)[nH]n3)cc(F)c2N1
InChIInChI=1S/C12H8FN3O3/c13-7-2-5(1-6-3-10(17)14-11(6)7)8-4-9(12(18)19)16-15-8/h1-2,4H,3H2,(H,14,17)(H,15,16)(H,18,19)
InChIKeyAJAATYDZZDNUCD-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-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)-1H-pyrazole-5-carboxylic acid
CID 117406571
5-(3-amino-1H-pyrazol-5-yl)-7-fluoro-1,3-dihydroindol-2-one
CID 117335864
3-(3,5-difluoro-4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117486912
7-fluoro-5-(5-fluoro-3-pyridinyl)-1,3-dihydroindol-2-one
CID 58255499
3-(4-cyclohexyl-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117465772
3-(3,4-difluoro-5-methoxycarbonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117453271
3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592596
3-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117499988
3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117378288
3-(1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxylic acid
CID 82390931
3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117400123
3-[3-(difluoromethyl)-4-hydroxy-5-methylphenyl]-1H-pyrazole-5-carboxylic acid
CID 136992010

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-5-carboxylic acid (CID 117406570) is 3-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-5-carboxylic acid is O=C1Cc2cc(-c3cc(C(=O)O)[nH]n3)cc(F)c2N1.
What is the InChIKey of 3-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is AJAATYDZZDNUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O3/c13-7-2-5(1-6-3-10(17)14-11(6)7)8-4-9(12(18)19)16-15-8/h1-2,4H,3H2,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 3-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-5-carboxylic acid?
3-(7-fluoro-2-oxo-1,3-dihydroindol-5-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-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117406570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).