N-(4-methoxyphenyl)-N-methyl-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

C21H19N3O4 — CID 20867798

IUPACN-(4-methoxyphenyl)-N-methyl-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCOc1ccc(N(C)C(=O)Cn2ncc3c(=O)oc4ccc(C)cc4c32)cc1
InChIInChI=1S/C21H19N3O4/c1-13-4-9-18-16(10-13)20-17(21(26)28-18)11-22-24(20)12-19(25)23(2)14-5-7-15(27-3)8-6-14/h4-11H,12H2,1-3H3
InChIKeyNBEKVKLITSDQCA-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.12
Rot. Bonds4

About N-(4-methoxyphenyl)-N-methyl-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

N-(4-methoxyphenyl)-N-methyl-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 20867798) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID20867798
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-(4-methoxyphenyl)-N-methyl-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCOc1ccc(N(C)C(=O)Cn2ncc3c(=O)oc4ccc(C)cc4c32)cc1
InChIInChI=1S/C21H19N3O4/c1-13-4-9-18-16(10-13)20-17(21(26)28-18)11-22-24(20)12-19(25)23(2)14-5-7-15(27-3)8-6-14/h4-11H,12H2,1-3H3
InChIKeyNBEKVKLITSDQCA-UHFFFAOYSA-N
XLogP3.12
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (CID 20867798) is N-(4-methoxyphenyl)-N-methyl-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is COc1ccc(N(C)C(=O)Cn2ncc3c(=O)oc4ccc(C)cc4c32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is NBEKVKLITSDQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-13-4-9-18-16(10-13)20-17(21(26)28-18)11-22-24(20)12-19(25)23(2)14-5-7-15(27-3)8-6-14/h4-11H,12H2,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-N-methyl-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
N-(4-methoxyphenyl)-N-methyl-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 377.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 20867798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).