3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid

C12H9N3O2 — CID 117326348

IUPAC3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc3cc[nH]c23)n[nH]1
InChIInChI=1S/C12H9N3O2/c16-12(17)10-6-9(14-15-10)8-3-1-2-7-4-5-13-11(7)8/h1-6,13H,(H,14,15)(H,16,17)
InChIKeyYNBFNRGXHAHWPP-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.26
Rot. Bonds2

About 3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid

3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117326348) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID117326348
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc3cc[nH]c23)n[nH]1
InChIInChI=1S/C12H9N3O2/c16-12(17)10-6-9(14-15-10)8-3-1-2-7-4-5-13-11(7)8/h1-6,13H,(H,14,15)(H,16,17)
InChIKeyYNBFNRGXHAHWPP-UHFFFAOYSA-N
XLogP2.26
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid (CID 117326348) is 3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2cccc3cc[nH]c23)n[nH]1.
What is the InChIKey of 3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is YNBFNRGXHAHWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-12(17)10-6-9(14-15-10)8-3-1-2-7-4-5-13-11(7)8/h1-6,13H,(H,14,15)(H,16,17).
What are the key properties of 3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid?
3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 227.22 g/mol, XLogP of 2.26, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117326348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).