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

C21H22ClN3O5 — CID 53197969

IUPAC2-(4-chlorophenoxy)-N-[5-methyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]acetamide
SMILESCOc1cc(-c2c(NC(=O)COc3ccc(Cl)cc3)n[nH]c2C)cc(OC)c1OC
InChIInChI=1S/C21H22ClN3O5/c1-12-19(13-9-16(27-2)20(29-4)17(10-13)28-3)21(25-24-12)23-18(26)11-30-15-7-5-14(22)6-8-15/h5-10H,11H2,1-4H3,(H2,23,24,25,26)
InChIKeyUYYVCYJLSPICIE-UHFFFAOYSA-N
MW431.88 g/mol
LogP4.08
Rot. Bonds8

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

2-(4-chlorophenoxy)-N-[5-methyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]acetamide (PubChem CID 53197969) has the molecular formula C21H22ClN3O5 and a molecular weight of 431.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[5-methyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[5-methyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]acetamide
PubChem CID53197969
Molecular FormulaC21H22ClN3O5
Molecular Weight431.88 g/mol
Exact Mass431.12
IUPAC Name2-(4-chlorophenoxy)-N-[5-methyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]acetamide
SMILESCOc1cc(-c2c(NC(=O)COc3ccc(Cl)cc3)n[nH]c2C)cc(OC)c1OC
InChIInChI=1S/C21H22ClN3O5/c1-12-19(13-9-16(27-2)20(29-4)17(10-13)28-3)21(25-24-12)23-18(26)11-30-15-7-5-14(22)6-8-15/h5-10H,11H2,1-4H3,(H2,23,24,25,26)
InChIKeyUYYVCYJLSPICIE-UHFFFAOYSA-N
XLogP4.08
TPSA94.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenoxy)-N-[5-methyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-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

benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide)
CID 175653131
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate
CID 35943053
2-(4-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 5305539
2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 163863888
2-(4-chlorophenoxy)-N-[6-(2-ethoxyphenyl)-1H-indazol-3-yl]acetamide
CID 69069808
2-(4-chlorophenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6898643
2-(2-chloro-4-methoxyphenyl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide
CID 53198503
2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 110402661
2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115594824
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-chlorophenoxy)acetamide
CID 7924033
2-(3,4-difluorophenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26216294
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[5-methyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[5-methyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]acetamide (CID 53197969) is 2-(4-chlorophenoxy)-N-[5-methyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[5-methyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[5-methyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]acetamide is COc1cc(-c2c(NC(=O)COc3ccc(Cl)cc3)n[nH]c2C)cc(OC)c1OC.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[5-methyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is UYYVCYJLSPICIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O5/c1-12-19(13-9-16(27-2)20(29-4)17(10-13)28-3)21(25-24-12)23-18(26)11-30-15-7-5-14(22)6-8-15/h5-10H,11H2,1-4H3,(H2,23,24,25,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[5-methyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]acetamide?
2-(4-chlorophenoxy)-N-[5-methyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 431.88 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[5-methyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 53197969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).