2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide

C15H13N3O3 — CID 110742740

IUPAC2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide
SMILESO=C(NCCn1cccn1)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H13N3O3/c19-14(16-7-9-18-8-3-6-17-18)12-10-11-4-1-2-5-13(11)21-15(12)20/h1-6,8,10H,7,9H2,(H,16,19)
InChIKeyCEDVBEARJSMZEK-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.42
Rot. Bonds4

About 2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide

2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide (PubChem CID 110742740) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide
PubChem CID110742740
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide
SMILESO=C(NCCn1cccn1)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H13N3O3/c19-14(16-7-9-18-8-3-6-17-18)12-10-11-4-1-2-5-13(11)21-15(12)20/h1-6,8,10H,7,9H2,(H,16,19)
InChIKeyCEDVBEARJSMZEK-UHFFFAOYSA-N
XLogP1.42
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.42
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-(3-pyridin-2-ylpyrazol-1-yl)ethyl]chromene-3-carboxamide
CID 71807939
2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide
CID 17354240
N-[2-(1-methylpyrrol-3-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110795663
2-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]chromene-3-carboxamide
CID 110741030
2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide
CID 49357043
2-oxo-N-pent-3-ynylchromene-3-carboxamide
CID 115977302
2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide
CID 56742375
5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide
CID 61459996
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-oxochromene-3-carboxamide
CID 46514997
N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide
CID 91954791
2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954
N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide
CID 171915214

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide (CID 110742740) is 2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide is O=C(NCCn1cccn1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide?
The InChIKey is CEDVBEARJSMZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-14(16-7-9-18-8-3-6-17-18)12-10-11-4-1-2-5-13(11)21-15(12)20/h1-6,8,10H,7,9H2,(H,16,19).
What are the key properties of 2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide?
2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide is sourced from PubChem (CID 110742740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).