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

C22H23N3O4 — CID 20880156

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c(CCNC(=O)Cn2ncc3c2-c2ccccc2OC3)c1
InChIInChI=1S/C22H23N3O4/c1-27-17-7-8-19(28-2)15(11-17)9-10-23-21(26)13-25-22-16(12-24-25)14-29-20-6-4-3-5-18(20)22/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,23,26)
InChIKeyBALKZKCMUUVSRA-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.82
Rot. Bonds7

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

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide (PubChem CID 20880156) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide
PubChem CID20880156
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c(CCNC(=O)Cn2ncc3c2-c2ccccc2OC3)c1
InChIInChI=1S/C22H23N3O4/c1-27-17-7-8-19(28-2)15(11-17)9-10-23-21(26)13-25-22-16(12-24-25)14-29-20-6-4-3-5-18(20)22/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,23,26)
InChIKeyBALKZKCMUUVSRA-UHFFFAOYSA-N
XLogP2.82
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]acetamide
CID 20880155
N-[2-(cycloheptylmethylamino)ethyl]-2-(8-methoxy-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 68543032
N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 22517002
N-[(4-methoxyphenyl)methyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20882150
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-[[(3R,5R)-3,5-dimethyl-1-adamantyl]oxy]ethyl]acetamide
CID 98210873
2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 20882192
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698832
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 20880126
2-(8-chloro-4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 24992337
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 110700805
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 38386256
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 46260245

Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide (CID 20880156) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide is COc1ccc(OC)c(CCNC(=O)Cn2ncc3c2-c2ccccc2OC3)c1.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is BALKZKCMUUVSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-27-17-7-8-19(28-2)15(11-17)9-10-23-21(26)13-25-22-16(12-24-25)14-29-20-6-4-3-5-18(20)22/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,23,26).
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 393.44 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 20880156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).