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

C14H12FN3O2 — CID 115108534

IUPAC3-(7-fluoro-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1c(-c2cc(C(=O)O)[nH]n2)c2cccc(F)c2n1C
InChIInChI=1S/C14H12FN3O2/c1-7-12(10-6-11(14(19)20)17-16-10)8-4-3-5-9(15)13(8)18(7)2/h3-6H,1-2H3,(H,16,17)(H,19,20)
InChIKeyCEHNCCLCOACIBK-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.71
Rot. Bonds2

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

3-(7-fluoro-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 115108534) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 3-(7-fluoro-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(7-fluoro-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID115108534
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name3-(7-fluoro-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1c(-c2cc(C(=O)O)[nH]n2)c2cccc(F)c2n1C
InChIInChI=1S/C14H12FN3O2/c1-7-12(10-6-11(14(19)20)17-16-10)8-4-3-5-9(15)13(8)18(7)2/h3-6H,1-2H3,(H,16,17)(H,19,20)
InChIKeyCEHNCCLCOACIBK-UHFFFAOYSA-N
XLogP2.71
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117439962
3-(6-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 115108598
7-fluoro-1,3-dimethylindole-2-carboxylic acid
CID 82492326
3-(2,6-difluoro-3-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117419269
3-[2-(dimethylamino)-3,6-difluorophenyl]-1H-pyrazole-5-carboxylic acid
CID 115111350
3-(7-hydroxy-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid
CID 115107688
3-(7-methoxy-1,2-dimethylindol-3-yl)-1-methylpyrazole-5-carboxylic acid
CID 115108555
3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83395825
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117429469
3-bromo-7-fluoro-1,2-dimethylindole
CID 82279918
3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117378395
3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117400123

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(7-fluoro-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid (CID 115108534) is 3-(7-fluoro-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(7-fluoro-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(7-fluoro-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid is Cc1c(-c2cc(C(=O)O)[nH]n2)c2cccc(F)c2n1C.
What is the InChIKey of 3-(7-fluoro-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is CEHNCCLCOACIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c1-7-12(10-6-11(14(19)20)17-16-10)8-4-3-5-9(15)13(8)18(7)2/h3-6H,1-2H3,(H,16,17)(H,19,20).
What are the key properties of 3-(7-fluoro-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid?
3-(7-fluoro-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 273.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 115108534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).