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

C20H17N3O4 — CID 20867735

IUPACN-(2-methoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21
InChIInChI=1S/C20H17N3O4/c1-12-7-8-16-13(9-12)19-14(20(25)27-16)10-21-23(19)11-18(24)22-15-5-3-4-6-17(15)26-2/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyAHMXXZUGCUYFEC-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.10
Rot. Bonds4

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

N-(2-methoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 20867735) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID20867735
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-(2-methoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21
InChIInChI=1S/C20H17N3O4/c1-12-7-8-16-13(9-12)19-14(20(25)27-16)10-21-23(19)11-18(24)22-15-5-3-4-6-17(15)26-2/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyAHMXXZUGCUYFEC-UHFFFAOYSA-N
XLogP3.10
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
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-(2-methoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (CID 20867735) is N-(2-methoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is COc1ccccc1NC(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21.
What is the InChIKey of N-(2-methoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is AHMXXZUGCUYFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-12-7-8-16-13(9-12)19-14(20(25)27-16)10-21-23(19)11-18(24)22-15-5-3-4-6-17(15)26-2/h3-10H,11H2,1-2H3,(H,22,24).
What are the key properties of N-(2-methoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
N-(2-methoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 363.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 20867735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).