1-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrazole-3-carboxylic acid

C13H12N2O3 — CID 43246389

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc3c(c2)CCC3)cc1O
InChIInChI=1S/C13H12N2O3/c16-11-7-15(14-12(11)13(17)18)10-5-4-8-2-1-3-9(8)6-10/h4-7,16H,1-3H2,(H,17,18)
InChIKeyXKGIWDUAEKQBIT-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.76
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrazole-3-carboxylic acid

1-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrazole-3-carboxylic acid (PubChem CID 43246389) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrazole-3-carboxylic acid
PubChem CID43246389
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc3c(c2)CCC3)cc1O
InChIInChI=1S/C13H12N2O3/c16-11-7-15(14-12(11)13(17)18)10-5-4-8-2-1-3-9(8)6-10/h4-7,16H,1-3H2,(H,17,18)
InChIKeyXKGIWDUAEKQBIT-UHFFFAOYSA-N
XLogP1.76
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrazole-3-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrazole-3-carboxylic acid (CID 43246389) is 1-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrazole-3-carboxylic acid is O=C(O)c1nn(-c2ccc3c(c2)CCC3)cc1O.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrazole-3-carboxylic acid?
The InChIKey is XKGIWDUAEKQBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-11-7-15(14-12(11)13(17)18)10-5-4-8-2-1-3-9(8)6-10/h4-7,16H,1-3H2,(H,17,18).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrazole-3-carboxylic acid?
1-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrazole-3-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrazole-3-carboxylic acid is sourced from PubChem (CID 43246389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).