2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]acetamide

C25H25N3O4 — CID 4899443

IUPAC2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCOc1ccc2c(C)c(CC(=O)Nc3cc(C)n(-c4ccc(C)cc4)n3)c(=O)oc2c1C
InChIInChI=1S/C25H25N3O4/c1-14-6-8-18(9-7-14)28-15(2)12-22(27-28)26-23(29)13-20-16(3)19-10-11-21(31-5)17(4)24(19)32-25(20)30/h6-12H,13H2,1-5H3,(H,26,27,29)
InChIKeyDMUHYPWCQZMPMU-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.40
Rot. Bonds5

About 2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]acetamide

2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]acetamide (PubChem CID 4899443) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]acetamide
PubChem CID4899443
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCOc1ccc2c(C)c(CC(=O)Nc3cc(C)n(-c4ccc(C)cc4)n3)c(=O)oc2c1C
InChIInChI=1S/C25H25N3O4/c1-14-6-8-18(9-7-14)28-15(2)12-22(27-28)26-23(29)13-20-16(3)19-10-11-21(31-5)17(4)24(19)32-25(20)30/h6-12H,13H2,1-5H3,(H,26,27,29)
InChIKeyDMUHYPWCQZMPMU-UHFFFAOYSA-N
XLogP4.40
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]benzoate
CID 4900058
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 4870042
N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 4897686
2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 4964837
2-[[2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]pentanoic acid
CID 5200064
N-[(4-chlorophenyl)methyl]-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 4913962
2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 71692042
2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4974013
2-[[2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 4204072
2-[3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]propanoic acid
CID 3840173
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 6217000
2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]benzamide
CID 4868879

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]acetamide (CID 4899443) is 2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]acetamide is COc1ccc2c(C)c(CC(=O)Nc3cc(C)n(-c4ccc(C)cc4)n3)c(=O)oc2c1C.
What is the InChIKey of 2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]acetamide?
The InChIKey is DMUHYPWCQZMPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-14-6-8-18(9-7-14)28-15(2)12-22(27-28)26-23(29)13-20-16(3)19-10-11-21(31-5)17(4)24(19)32-25(20)30/h6-12H,13H2,1-5H3,(H,26,27,29).
What are the key properties of 2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]acetamide?
2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]acetamide has a molecular weight of 431.49 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 4899443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).