2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide

C20H15N3O3 — CID 17354240

IUPAC2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide
SMILESO=C(NCc1ccc(-n2cccn2)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H15N3O3/c24-19(17-12-15-4-1-2-5-18(15)26-20(17)25)21-13-14-6-8-16(9-7-14)23-11-3-10-22-23/h1-12H,13H2,(H,21,24)
InChIKeyCKSAWPJDEMCSFY-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.91
Rot. Bonds4

About 2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide

2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide (PubChem CID 17354240) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide
PubChem CID17354240
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide
SMILESO=C(NCc1ccc(-n2cccn2)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H15N3O3/c24-19(17-12-15-4-1-2-5-18(15)26-20(17)25)21-13-14-6-8-16(9-7-14)23-11-3-10-22-23/h1-12H,13H2,(H,21,24)
InChIKeyCKSAWPJDEMCSFY-UHFFFAOYSA-N
XLogP2.91
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide
CID 110742740
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-oxochromene-3-carboxamide
CID 49047426
N-[(1-benzylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide
CID 51115685
2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide
CID 110793766
N-(1,3-benzodioxol-5-ylmethyl)-2-oxochromene-3-carboxamide
CID 775794
N-[[4-(butylcarbamoyl)phenyl]methyl]-2-oxochromene-3-carboxamide
CID 86986297
2-oxo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]chromene-3-carboxamide
CID 121165322
N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxochromene-3-carboxamide
CID 51121667
2-oxo-N-(quinolin-2-ylmethyl)chromene-3-carboxamide
CID 110745561
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide
CID 75435887
N-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 1253528
5-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
CID 71941563

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide (CID 17354240) is 2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide is O=C(NCc1ccc(-n2cccn2)cc1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide?
The InChIKey is CKSAWPJDEMCSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-19(17-12-15-4-1-2-5-18(15)26-20(17)25)21-13-14-6-8-16(9-7-14)23-11-3-10-22-23/h1-12H,13H2,(H,21,24).
What are the key properties of 2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide?
2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide is sourced from PubChem (CID 17354240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).