2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

C21H21N3O5 — CID 5309911

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2ncc3c2-c2ccccc2OC3)cc(OC)c1OC
InChIInChI=1S/C21H21N3O5/c1-26-17-8-14(9-18(27-2)21(17)28-3)23-19(25)11-24-20-13(10-22-24)12-29-16-7-5-4-6-15(16)20/h4-10H,11-12H2,1-3H3,(H,23,25)
InChIKeyZPYNUIIYJYWODN-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.11
Rot. Bonds6

About 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 5309911) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID5309911
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2ncc3c2-c2ccccc2OC3)cc(OC)c1OC
InChIInChI=1S/C21H21N3O5/c1-26-17-8-14(9-18(27-2)21(17)28-3)23-19(25)11-24-20-13(10-22-24)12-29-16-7-5-4-6-15(16)20/h4-10H,11-12H2,1-3H3,(H,23,25)
InChIKeyZPYNUIIYJYWODN-UHFFFAOYSA-N
XLogP3.11
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 5309911) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)Cn2ncc3c2-c2ccccc2OC3)cc(OC)c1OC.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is ZPYNUIIYJYWODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-26-17-8-14(9-18(27-2)21(17)28-3)23-19(25)11-24-20-13(10-22-24)12-29-16-7-5-4-6-15(16)20/h4-10H,11-12H2,1-3H3,(H,23,25).
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 395.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 5309911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).