3-(1-ethylindol-3-yl)-1-methylpyrazole-5-carboxylic acid

C15H15N3O2 — CID 122164592

IUPAC3-(1-ethylindol-3-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCCn1cc(-c2cc(C(=O)O)n(C)n2)c2ccccc21
InChIInChI=1S/C15H15N3O2/c1-3-18-9-11(10-6-4-5-7-13(10)18)12-8-14(15(19)20)17(2)16-12/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyWCVZTBNDQWTCGE-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.76
Rot. Bonds3

About 3-(1-ethylindol-3-yl)-1-methylpyrazole-5-carboxylic acid

3-(1-ethylindol-3-yl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 122164592) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(1-ethylindol-3-yl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-ethylindol-3-yl)-1-methylpyrazole-5-carboxylic acid
PubChem CID122164592
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-(1-ethylindol-3-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCCn1cc(-c2cc(C(=O)O)n(C)n2)c2ccccc21
InChIInChI=1S/C15H15N3O2/c1-3-18-9-11(10-6-4-5-7-13(10)18)12-8-14(15(19)20)17(2)16-12/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyWCVZTBNDQWTCGE-UHFFFAOYSA-N
XLogP2.76
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylindol-3-yl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 3-(1-ethylindol-3-yl)-1-methylpyrazole-5-carboxylic acid (CID 122164592) is 3-(1-ethylindol-3-yl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-ethylindol-3-yl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-(1-ethylindol-3-yl)-1-methylpyrazole-5-carboxylic acid is CCn1cc(-c2cc(C(=O)O)n(C)n2)c2ccccc21.
What is the InChIKey of 3-(1-ethylindol-3-yl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is WCVZTBNDQWTCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-3-18-9-11(10-6-4-5-7-13(10)18)12-8-14(15(19)20)17(2)16-12/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of 3-(1-ethylindol-3-yl)-1-methylpyrazole-5-carboxylic acid?
3-(1-ethylindol-3-yl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylindol-3-yl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 122164592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).