8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide

C19H13N3O4 — CID 86650444

IUPAC8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide
SMILESO=C(Nc1cccc(-c2cn[nH]c2)c1)c1cc2cccc(O)c2oc1=O
InChIInChI=1S/C19H13N3O4/c23-16-6-2-4-12-8-15(19(25)26-17(12)16)18(24)22-14-5-1-3-11(7-14)13-9-20-21-10-13/h1-10,23H,(H,20,21)(H,22,24)
InChIKeyNNNWXKFFAWEVCE-UHFFFAOYSA-N
MW347.33 g/mol
LogP3.14
Rot. Bonds3

About 8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide

8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide (PubChem CID 86650444) has the molecular formula C19H13N3O4 and a molecular weight of 347.33 g/mol. Its IUPAC name is 8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide.

Molecular Properties

Compound Name8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide
PubChem CID86650444
Molecular FormulaC19H13N3O4
Molecular Weight347.33 g/mol
Exact Mass347.09
IUPAC Name8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide
SMILESO=C(Nc1cccc(-c2cn[nH]c2)c1)c1cc2cccc(O)c2oc1=O
InChIInChI=1S/C19H13N3O4/c23-16-6-2-4-12-8-15(19(25)26-17(12)16)18(24)22-14-5-1-3-11(7-14)13-9-20-21-10-13/h1-10,23H,(H,20,21)(H,22,24)
InChIKeyNNNWXKFFAWEVCE-UHFFFAOYSA-N
XLogP3.14
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide
CID 86650366
8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide
CID 86650382
N-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650433
N-[3-(4-ethoxy-3-methylphenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650388
N-[3-(2-acetamidophenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650418
N-[3-(2-ethoxy-3-pyridinyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650369
N-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 86650416
N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide
CID 166188841
N-[3-(1H-pyrazol-4-yl)phenyl]-2-pyridin-3-yloxybenzamide
CID 71906378
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide
CID 110745871
N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide
CID 7593527

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide?
The IUPAC name of 8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide (CID 86650444) is 8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide.
What is the SMILES notation for 8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide?
The canonical SMILES for 8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide is O=C(Nc1cccc(-c2cn[nH]c2)c1)c1cc2cccc(O)c2oc1=O.
What is the InChIKey of 8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide?
The InChIKey is NNNWXKFFAWEVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4/c23-16-6-2-4-12-8-15(19(25)26-17(12)16)18(24)22-14-5-1-3-11(7-14)13-9-20-21-10-13/h1-10,23H,(H,20,21)(H,22,24).
What are the key properties of 8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide?
8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide is sourced from PubChem (CID 86650444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).