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

C22H23N3O3 — CID 20880155

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(CCNC(=O)Cn2ncc3c2-c2ccccc2OC3)cc1
InChIInChI=1S/C22H23N3O3/c1-2-27-18-9-7-16(8-10-18)11-12-23-21(26)14-25-22-17(13-24-25)15-28-20-6-4-3-5-19(20)22/h3-10,13H,2,11-12,14-15H2,1H3,(H,23,26)
InChIKeyVAWLTPQMZZZUDI-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.20
Rot. Bonds7

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

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]acetamide (PubChem CID 20880155) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]acetamide
PubChem CID20880155
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(CCNC(=O)Cn2ncc3c2-c2ccccc2OC3)cc1
InChIInChI=1S/C22H23N3O3/c1-2-27-18-9-7-16(8-10-18)11-12-23-21(26)14-25-22-17(13-24-25)15-28-20-6-4-3-5-19(20)22/h3-10,13H,2,11-12,14-15H2,1H3,(H,23,26)
InChIKeyVAWLTPQMZZZUDI-UHFFFAOYSA-N
XLogP3.20
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]acetamide (CID 20880155) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]acetamide is CCOc1ccc(CCNC(=O)Cn2ncc3c2-c2ccccc2OC3)cc1.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]acetamide?
The InChIKey is VAWLTPQMZZZUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-27-18-9-7-16(8-10-18)11-12-23-21(26)14-25-22-17(13-24-25)15-28-20-6-4-3-5-19(20)22/h3-10,13H,2,11-12,14-15H2,1H3,(H,23,26).
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]acetamide?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]acetamide has a molecular weight of 377.44 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 20880155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).