N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide

C23H21N3O5 — CID 6222057

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCc1c(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C23H21N3O5/c1-13-17-10-9-16(27)11-19(17)31-23(30)18(13)12-20(28)24-21-14(2)25(3)26(22(21)29)15-7-5-4-6-8-15/h4-11,27H,12H2,1-3H3,(H,24,28)
InChIKeyNOHUPXFAIHKDSM-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.79
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide (PubChem CID 6222057) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
PubChem CID6222057
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCc1c(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C23H21N3O5/c1-13-17-10-9-16(27)11-19(17)31-23(30)18(13)12-20(28)24-21-14(2)25(3)26(22(21)29)15-7-5-4-6-8-15/h4-11,27H,12H2,1-3H3,(H,24,28)
InChIKeyNOHUPXFAIHKDSM-UHFFFAOYSA-N
XLogP2.79
TPSA106.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 4870042
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 108792024
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,5-dimethylphenyl)acetamide
CID 28631931
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 2450412
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,3-dimethylbutanamide
CID 8701756
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide
CID 4117225
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6228876
ethyl 3-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]benzoate
CID 6226439
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
(2S,3R)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid
CID 5417125
[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-amino-5-hydroxybenzoate
CID 23761875
N-(1-benzylpiperidin-1-ium-4-yl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 7597803

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide (CID 6222057) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide is Cc1c(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)oc2cc(O)ccc12.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
The InChIKey is NOHUPXFAIHKDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-13-17-10-9-16(27)11-19(17)31-23(30)18(13)12-20(28)24-21-14(2)25(3)26(22(21)29)15-7-5-4-6-8-15/h4-11,27H,12H2,1-3H3,(H,24,28).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide has a molecular weight of 419.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide is sourced from PubChem (CID 6222057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).