N-naphthalen-2-yl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

C22H15N3O3 — CID 89031601

IUPACN-naphthalen-2-yl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H15N3O3/c26-20(24-16-10-9-14-5-1-2-6-15(14)11-16)13-25-21-17-7-3-4-8-19(17)28-22(27)18(21)12-23-25/h1-12H,13H2,(H,24,26)
InChIKeyRWMBAUYJWJJCMH-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.93
Rot. Bonds3

About N-naphthalen-2-yl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

N-naphthalen-2-yl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 89031601) has the molecular formula C22H15N3O3 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID89031601
Molecular FormulaC22H15N3O3
Molecular Weight369.38 g/mol
Exact Mass369.11
IUPAC NameN-naphthalen-2-yl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H15N3O3/c26-20(24-16-10-9-14-5-1-2-6-15(14)11-16)13-25-21-17-7-3-4-8-19(17)28-22(27)18(21)12-23-25/h1-12H,13H2,(H,24,26)
InChIKeyRWMBAUYJWJJCMH-UHFFFAOYSA-N
XLogP3.93
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.93
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-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 5309260
ST51001558
CID 342056
N-{2-[4-(2-Fluorophenyl)piperazin-1-YL]ethyl}-2-{4-oxo-1H,4H-chromeno[4,3-C]pyrazol-1-YL}acetamide
CID 5309292
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 5309822
1-[2-[4-(3-Methoxyphenyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
CID 16009565
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20855484
N-(3,4-dichlorophenyl)-2-(4-oxochromeno[4,3-c]pyrazol-1-yl)acetamide
CID 89031602
2-(4-oxochromeno[4,3-c]pyrazol-1-yl)-N-(6-quinolyl)acetamide
CID 89031605
N-(4-fluorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 3473530
2-Phenylchromeno[4,3-c]pyrazol-4-one
CID 3856570
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide
CID 5307131
2-{8-Methyl-4-oxo-1H,4H-chromeno[4,3-C]pyrazol-1-YL}-N-[3-(propan-2-yloxy)propyl]acetamide
CID 5307174

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-naphthalen-2-yl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (CID 89031601) is N-naphthalen-2-yl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-naphthalen-2-yl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-naphthalen-2-yl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-yl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is RWMBAUYJWJJCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3/c26-20(24-16-10-9-14-5-1-2-6-15(14)11-16)13-25-21-17-7-3-4-8-19(17)28-22(27)18(21)12-23-25/h1-12H,13H2,(H,24,26).
What are the key properties of N-naphthalen-2-yl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
N-naphthalen-2-yl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 369.38 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 89031601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).