2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide

C16H15N3O3 — CID 30183382

IUPAC2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide
SMILESCC(C)n1nccc1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H15N3O3/c1-10(2)19-14(7-8-17-19)18-15(20)12-9-11-5-3-4-6-13(11)22-16(12)21/h3-10H,1-2H3,(H,18,20)
InChIKeyKUWVLEVSVOUTCC-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.82
Rot. Bonds3

About 2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide

2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide (PubChem CID 30183382) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide
PubChem CID30183382
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide
SMILESCC(C)n1nccc1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H15N3O3/c1-10(2)19-14(7-8-17-19)18-15(20)12-9-11-5-3-4-6-13(11)22-16(12)21/h3-10H,1-2H3,(H,18,20)
InChIKeyKUWVLEVSVOUTCC-UHFFFAOYSA-N
XLogP2.82
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.82
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-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
N-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide
CID 30183164
N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide
CID 110757271
2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide
CID 2970214
6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 47151732
ethyl 1-methyl-5-[(2-oxochromene-3-carbonyl)amino]pyrazole-4-carboxylate
CID 108738738
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136
1-oxo-N-(2-propan-2-ylpyrazol-3-yl)-2H-isoquinoline-3-carboxamide
CID 86978036
N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide
CID 171915214
2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 103606134
N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
CID 42618006
N-tert-butyl-2-oxochromene-3-carboxamide
CID 2798381

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide (CID 30183382) is 2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide is CC(C)n1nccc1NC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide?
The InChIKey is KUWVLEVSVOUTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10(2)19-14(7-8-17-19)18-15(20)12-9-11-5-3-4-6-13(11)22-16(12)21/h3-10H,1-2H3,(H,18,20).
What are the key properties of 2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide?
2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide is sourced from PubChem (CID 30183382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).