4-(3,7-dioxo-1H-chromeno[2,3-c]pyrazol-2-yl)benzoic acid

C17H10N2O5 — CID 50784755

IUPAC4-(3,7-dioxo-1H-chromeno[2,3-c]pyrazol-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2[nH]c3oc4cc(=O)ccc-4cc3c2=O)cc1
InChIInChI=1S/C17H10N2O5/c20-12-6-3-10-7-13-15(24-14(10)8-12)18-19(16(13)21)11-4-1-9(2-5-11)17(22)23/h1-8,18H,(H,22,23)
InChIKeyRSZCMCDCPCGBIG-UHFFFAOYSA-N
MW322.28 g/mol
LogP2.08
Rot. Bonds2

About 4-(3,7-dioxo-1H-chromeno[2,3-c]pyrazol-2-yl)benzoic acid

4-(3,7-dioxo-1H-chromeno[2,3-c]pyrazol-2-yl)benzoic acid (PubChem CID 50784755) has the molecular formula C17H10N2O5 and a molecular weight of 322.28 g/mol. Its IUPAC name is 4-(3,7-dioxo-1H-chromeno[2,3-c]pyrazol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(3,7-dioxo-1H-chromeno[2,3-c]pyrazol-2-yl)benzoic acid
PubChem CID50784755
Molecular FormulaC17H10N2O5
Molecular Weight322.28 g/mol
Exact Mass322.06
IUPAC Name4-(3,7-dioxo-1H-chromeno[2,3-c]pyrazol-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2[nH]c3oc4cc(=O)ccc-4cc3c2=O)cc1
InChIInChI=1S/C17H10N2O5/c20-12-6-3-10-7-13-15(24-14(10)8-12)18-19(16(13)21)11-4-1-9(2-5-11)17(22)23/h1-8,18H,(H,22,23)
InChIKeyRSZCMCDCPCGBIG-UHFFFAOYSA-N
XLogP2.08
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,7-dioxo-1H-chromeno[2,3-c]pyrazol-2-yl)benzoic acid?
The IUPAC name of 4-(3,7-dioxo-1H-chromeno[2,3-c]pyrazol-2-yl)benzoic acid (CID 50784755) is 4-(3,7-dioxo-1H-chromeno[2,3-c]pyrazol-2-yl)benzoic acid.
What is the SMILES notation for 4-(3,7-dioxo-1H-chromeno[2,3-c]pyrazol-2-yl)benzoic acid?
The canonical SMILES for 4-(3,7-dioxo-1H-chromeno[2,3-c]pyrazol-2-yl)benzoic acid is O=C(O)c1ccc(-n2[nH]c3oc4cc(=O)ccc-4cc3c2=O)cc1.
What is the InChIKey of 4-(3,7-dioxo-1H-chromeno[2,3-c]pyrazol-2-yl)benzoic acid?
The InChIKey is RSZCMCDCPCGBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O5/c20-12-6-3-10-7-13-15(24-14(10)8-12)18-19(16(13)21)11-4-1-9(2-5-11)17(22)23/h1-8,18H,(H,22,23).
What are the key properties of 4-(3,7-dioxo-1H-chromeno[2,3-c]pyrazol-2-yl)benzoic acid?
4-(3,7-dioxo-1H-chromeno[2,3-c]pyrazol-2-yl)benzoic acid has a molecular weight of 322.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,7-dioxo-1H-chromeno[2,3-c]pyrazol-2-yl)benzoic acid is sourced from PubChem (CID 50784755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).