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

C21H21N3O3 — CID 20882150

IUPACN-[(4-methoxyphenyl)methyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2ncc3c2-c2cc(C)ccc2OC3)cc1
InChIInChI=1S/C21H21N3O3/c1-14-3-8-19-18(9-14)21-16(13-27-19)11-23-24(21)12-20(25)22-10-15-4-6-17(26-2)7-5-15/h3-9,11H,10,12-13H2,1-2H3,(H,22,25)
InChIKeyPHWFDSDWXXGKKL-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.08
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 20882150) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID20882150
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2ncc3c2-c2cc(C)ccc2OC3)cc1
InChIInChI=1S/C21H21N3O3/c1-14-3-8-19-18(9-14)21-16(13-27-19)11-23-24(21)12-20(25)22-10-15-4-6-17(26-2)7-5-15/h3-9,11H,10,12-13H2,1-2H3,(H,22,25)
InChIKeyPHWFDSDWXXGKKL-UHFFFAOYSA-N
XLogP3.08
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-methoxyphenyl)methyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cycloheptylmethylamino)ethyl]-2-(8-methoxy-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 68543032
2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 22509892
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
2-[6-[(4-chlorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 23601377
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947053
2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 51138501
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 20880043
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 7692114
2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 135410471
N-[(4-methoxyphenyl)methyl]-2-[5-[(2-methylphenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892021
methyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53043317
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 110754901

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (CID 20882150) is N-[(4-methoxyphenyl)methyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is COc1ccc(CNC(=O)Cn2ncc3c2-c2cc(C)ccc2OC3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is PHWFDSDWXXGKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-3-8-19-18(9-14)21-16(13-27-19)11-23-24(21)12-20(25)22-10-15-4-6-17(26-2)7-5-15/h3-9,11H,10,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
N-[(4-methoxyphenyl)methyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 363.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 20882150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).