4-oxo-7-pyrazol-1-ylchromene-2-carboxylic acid

C13H8N2O4 — CID 126484769

IUPAC4-oxo-7-pyrazol-1-ylchromene-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2ccc(-n3cccn3)cc2o1
InChIInChI=1S/C13H8N2O4/c16-10-7-12(13(17)18)19-11-6-8(2-3-9(10)11)15-5-1-4-14-15/h1-7H,(H,17,18)
InChIKeyYDPOWYUYHFQDAA-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.68
Rot. Bonds2

About 4-oxo-7-pyrazol-1-ylchromene-2-carboxylic acid

4-oxo-7-pyrazol-1-ylchromene-2-carboxylic acid (PubChem CID 126484769) has the molecular formula C13H8N2O4 and a molecular weight of 256.22 g/mol. Its IUPAC name is 4-oxo-7-pyrazol-1-ylchromene-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-7-pyrazol-1-ylchromene-2-carboxylic acid
PubChem CID126484769
Molecular FormulaC13H8N2O4
Molecular Weight256.22 g/mol
Exact Mass256.05
IUPAC Name4-oxo-7-pyrazol-1-ylchromene-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2ccc(-n3cccn3)cc2o1
InChIInChI=1S/C13H8N2O4/c16-10-7-12(13(17)18)19-11-6-8(2-3-9(10)11)15-5-1-4-14-15/h1-7H,(H,17,18)
InChIKeyYDPOWYUYHFQDAA-UHFFFAOYSA-N
XLogP1.68
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide
CID 70777675
7-cyano-4-oxochromene-2-carboxylic acid
CID 151758187
1-(18-pyrazol-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)pyrazole
CID 156627335
7-(carboxymethoxy)-4-oxochromene-2-carboxylic acid
CID 154157927
1-(4-dibenzofuran-3-ylphenyl)pyrazole
CID 140714857
(1S,8R)-12-pyrazol-1-yl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxylic acid
CID 140757662
6-methyl-4-oxochromene-2-carboxylic acid
CID 688704
3-hydroxy-7-pyrazol-1-ylnaphthalene-2-carboxylic acid
CID 121473603
2-bromo-4-pyrazol-1-ylbenzamide
CID 107282932
2-methyl-5-pyrazol-1-ylbenzamide
CID 68604626
(4-pyrazol-1-ylphenyl)methyl 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
CID 16571314
2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide
CID 17354240

Frequently Asked Questions

What is the IUPAC name of 4-oxo-7-pyrazol-1-ylchromene-2-carboxylic acid?
The IUPAC name of 4-oxo-7-pyrazol-1-ylchromene-2-carboxylic acid (CID 126484769) is 4-oxo-7-pyrazol-1-ylchromene-2-carboxylic acid.
What is the SMILES notation for 4-oxo-7-pyrazol-1-ylchromene-2-carboxylic acid?
The canonical SMILES for 4-oxo-7-pyrazol-1-ylchromene-2-carboxylic acid is O=C(O)c1cc(=O)c2ccc(-n3cccn3)cc2o1.
What is the InChIKey of 4-oxo-7-pyrazol-1-ylchromene-2-carboxylic acid?
The InChIKey is YDPOWYUYHFQDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O4/c16-10-7-12(13(17)18)19-11-6-8(2-3-9(10)11)15-5-1-4-14-15/h1-7H,(H,17,18).
What are the key properties of 4-oxo-7-pyrazol-1-ylchromene-2-carboxylic acid?
4-oxo-7-pyrazol-1-ylchromene-2-carboxylic acid has a molecular weight of 256.22 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-7-pyrazol-1-ylchromene-2-carboxylic acid is sourced from PubChem (CID 126484769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).