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

C22H21N3O3 — CID 20855538

IUPAC2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cn1ncc2c(=O)oc3ccccc3c21
InChIInChI=1S/C22H21N3O3/c1-15(11-12-16-7-3-2-4-8-16)24-20(26)14-25-21-17-9-5-6-10-19(17)28-22(27)18(21)13-23-25/h2-10,13,15H,11-12,14H2,1H3,(H,24,26)
InChIKeyMEWCIGZXGMRQEX-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.28
Rot. Bonds6

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

2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 20855538) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID20855538
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cn1ncc2c(=O)oc3ccccc3c21
InChIInChI=1S/C22H21N3O3/c1-15(11-12-16-7-3-2-4-8-16)24-20(26)14-25-21-17-9-5-6-10-19(17)28-22(27)18(21)13-23-25/h2-10,13,15H,11-12,14H2,1H3,(H,24,26)
InChIKeyMEWCIGZXGMRQEX-UHFFFAOYSA-N
XLogP3.28
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.28
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

N-benzyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide
CID 20873125
ethane;2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propylacetamide
CID 91515379
ethane;1-(2-oxopropyl)chromeno[3,4-d]pyrazol-4-one
CID 91292022
N-(3-chlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 6622016
N-(4-methyl-2-pyridinyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20855542
2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 20892242
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 20873124
N-(3,4-dimethoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20855479
1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
CID 20873127
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 16606244
N-cyclohexyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide
CID 6622691
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 23601569

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide (CID 20855538) is 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)Cn1ncc2c(=O)oc3ccccc3c21.
What is the InChIKey of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is MEWCIGZXGMRQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15(11-12-16-7-3-2-4-8-16)24-20(26)14-25-21-17-9-5-6-10-19(17)28-22(27)18(21)13-23-25/h2-10,13,15H,11-12,14H2,1H3,(H,24,26).
What are the key properties of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide?
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 20855538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).