5-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazole-3-carboxylic acid

C14H12FN3O2 — CID 115108105

IUPAC5-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1cc2c(F)cccc2n1C
InChIInChI=1S/C14H12FN3O2/c1-17-11-5-3-4-9(15)8(11)6-12(17)13-7-10(14(19)20)16-18(13)2/h3-7H,1-2H3,(H,19,20)
InChIKeyOBHVBMBRUXWZGJ-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.42
Rot. Bonds2

About 5-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazole-3-carboxylic acid

5-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 115108105) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 5-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazole-3-carboxylic acid
PubChem CID115108105
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name5-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1cc2c(F)cccc2n1C
InChIInChI=1S/C14H12FN3O2/c1-17-11-5-3-4-9(15)8(11)6-12(17)13-7-10(14(19)20)16-18(13)2/h3-7H,1-2H3,(H,19,20)
InChIKeyOBHVBMBRUXWZGJ-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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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazole-3-carboxylic acid (CID 115108105) is 5-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1-c1cc2c(F)cccc2n1C.
What is the InChIKey of 5-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is OBHVBMBRUXWZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c1-17-11-5-3-4-9(15)8(11)6-12(17)13-7-10(14(19)20)16-18(13)2/h3-7H,1-2H3,(H,19,20).
What are the key properties of 5-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazole-3-carboxylic acid?
5-(4-fluoro-1-methylindol-2-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-2-yl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 115108105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).