4-(4-oxoindeno[2,1-d]pyrazol-1-yl)benzoic acid

C17H10N2O3 — CID 133083962

IUPAC4-(4-oxoindeno[2,1-d]pyrazol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2ncc3c2-c2ccccc2C3=O)cc1
InChIInChI=1S/C17H10N2O3/c20-16-13-4-2-1-3-12(13)15-14(16)9-18-19(15)11-7-5-10(6-8-11)17(21)22/h1-9H,(H,21,22)
InChIKeyWYBWRLSIWYLYCZ-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.78
Rot. Bonds2

About 4-(4-oxoindeno[2,1-d]pyrazol-1-yl)benzoic acid

4-(4-oxoindeno[2,1-d]pyrazol-1-yl)benzoic acid (PubChem CID 133083962) has the molecular formula C17H10N2O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 4-(4-oxoindeno[2,1-d]pyrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(4-oxoindeno[2,1-d]pyrazol-1-yl)benzoic acid
PubChem CID133083962
Molecular FormulaC17H10N2O3
Molecular Weight290.28 g/mol
Exact Mass290.07
IUPAC Name4-(4-oxoindeno[2,1-d]pyrazol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2ncc3c2-c2ccccc2C3=O)cc1
InChIInChI=1S/C17H10N2O3/c20-16-13-4-2-1-3-12(13)15-14(16)9-18-19(15)11-7-5-10(6-8-11)17(21)22/h1-9H,(H,21,22)
InChIKeyWYBWRLSIWYLYCZ-UHFFFAOYSA-N
XLogP2.78
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-chlorophenyl)-5-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid
CID 135368263
lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride
CID 174801705
9,10-dioxoanthracene-2-carboxylic acid;gold
CID 175791261
1-phenylindazole-4,7-dione
CID 102097080
4-(5-methylpyrazol-1-yl)benzoic acid
CID 4962781
4-(5-amino-4-phenylpyrazol-1-yl)benzoate
CID 6979898
4-[1,3-bis(sulfanylidene)isoindol-2-yl]benzoic acid
CID 154963130
4-(5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzoic acid
CID 105485455
1-phenylpyrazolo[4,5-b]pyridine-6-carboxylic acid
CID 12643401
1-(4-carboxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361635
4-(5-amino-4-cyanopyrazol-1-yl)benzoic acid
CID 2451195
4-(4,6-dioxofuro[3,4-d]triazol-3-yl)benzoic acid
CID 82369565

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxoindeno[2,1-d]pyrazol-1-yl)benzoic acid?
The IUPAC name of 4-(4-oxoindeno[2,1-d]pyrazol-1-yl)benzoic acid (CID 133083962) is 4-(4-oxoindeno[2,1-d]pyrazol-1-yl)benzoic acid.
What is the SMILES notation for 4-(4-oxoindeno[2,1-d]pyrazol-1-yl)benzoic acid?
The canonical SMILES for 4-(4-oxoindeno[2,1-d]pyrazol-1-yl)benzoic acid is O=C(O)c1ccc(-n2ncc3c2-c2ccccc2C3=O)cc1.
What is the InChIKey of 4-(4-oxoindeno[2,1-d]pyrazol-1-yl)benzoic acid?
The InChIKey is WYBWRLSIWYLYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O3/c20-16-13-4-2-1-3-12(13)15-14(16)9-18-19(15)11-7-5-10(6-8-11)17(21)22/h1-9H,(H,21,22).
What are the key properties of 4-(4-oxoindeno[2,1-d]pyrazol-1-yl)benzoic acid?
4-(4-oxoindeno[2,1-d]pyrazol-1-yl)benzoic acid has a molecular weight of 290.28 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxoindeno[2,1-d]pyrazol-1-yl)benzoic acid is sourced from PubChem (CID 133083962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).