5-(4-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid

C14H12FN3O2 — CID 115108326

IUPAC5-(4-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1cn(C)c2cccc(F)c12
InChIInChI=1S/C14H12FN3O2/c1-17-7-8(13-9(15)4-3-5-11(13)17)12-6-10(14(19)20)16-18(12)2/h3-7H,1-2H3,(H,19,20)
InChIKeyIWHXRRPQOQBMSB-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.42
Rot. Bonds2

About 5-(4-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid

5-(4-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 115108326) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 5-(4-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
PubChem CID115108326
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name5-(4-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1cn(C)c2cccc(F)c12
InChIInChI=1S/C14H12FN3O2/c1-17-7-8(13-9(15)4-3-5-11(13)17)12-6-10(14(19)20)16-18(12)2/h3-7H,1-2H3,(H,19,20)
InChIKeyIWHXRRPQOQBMSB-UHFFFAOYSA-N
XLogP2.42
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-hydroxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108344
5-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108157
5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 62268890
5-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108105
5-(4,5-difluoro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136942334
1-methyl-5-(2,3,4,5-tetrafluorophenyl)pyrazole-3-carboxylic acid
CID 115111505
5-(5-methoxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108277
5-(2,3-difluoro-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117383215
5-(5-ethyl-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 117373137
5-(2-fluoro-3-methylsulfonylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117480723
5-(3,5-difluoro-2-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117383221
5-(2-chloro-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117380089

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(4-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid (CID 115108326) is 5-(4-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(4-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1-c1cn(C)c2cccc(F)c12.
What is the InChIKey of 5-(4-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is IWHXRRPQOQBMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c1-17-7-8(13-9(15)4-3-5-11(13)17)12-6-10(14(19)20)16-18(12)2/h3-7H,1-2H3,(H,19,20).
What are the key properties of 5-(4-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid?
5-(4-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 273.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 115108326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).