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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Related Compounds

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 20880156
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 20880043
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 20880126
2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 20882192
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-[[(3R,5R)-3,5-dimethyl-1-adamantyl]oxy]ethyl]acetamide
CID 98210873
N-[(4-methoxyphenyl)methyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20882150
N-[2-(cyclohexen-1-yl)ethyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20882029
N-[2-(cycloheptylmethylamino)ethyl]-2-(8-methoxy-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 68543032
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 20880111
2-(8-chloro-4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 24992337
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 46260245
2-[4-[2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119255406

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).