2-(4-chlorophenyl)-N-[3-(3,4-dimethoxyphenyl)-1-methylpyrazol-4-yl]acetamide

C20H20ClN3O3 — CID 11361152

IUPAC2-(4-chlorophenyl)-N-[3-(3,4-dimethoxyphenyl)-1-methylpyrazol-4-yl]acetamide
SMILESCOc1ccc(-c2nn(C)cc2NC(=O)Cc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H20ClN3O3/c1-24-12-16(22-19(25)10-13-4-7-15(21)8-5-13)20(23-24)14-6-9-17(26-2)18(11-14)27-3/h4-9,11-12H,10H2,1-3H3,(H,22,25)
InChIKeyVQNKAQSHJUIJLW-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.94
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[3-(3,4-dimethoxyphenyl)-1-methylpyrazol-4-yl]acetamide

2-(4-chlorophenyl)-N-[3-(3,4-dimethoxyphenyl)-1-methylpyrazol-4-yl]acetamide (PubChem CID 11361152) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(3,4-dimethoxyphenyl)-1-methylpyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(3,4-dimethoxyphenyl)-1-methylpyrazol-4-yl]acetamide
PubChem CID11361152
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name2-(4-chlorophenyl)-N-[3-(3,4-dimethoxyphenyl)-1-methylpyrazol-4-yl]acetamide
SMILESCOc1ccc(-c2nn(C)cc2NC(=O)Cc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H20ClN3O3/c1-24-12-16(22-19(25)10-13-4-7-15(21)8-5-13)20(23-24)14-6-9-17(26-2)18(11-14)27-3/h4-9,11-12H,10H2,1-3H3,(H,22,25)
InChIKeyVQNKAQSHJUIJLW-UHFFFAOYSA-N
XLogP3.94
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)acetamide
CID 122323070
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]acetamide
CID 108575203
2-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)acetamide
CID 110362005
2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide
CID 113048759
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3238946
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 3482890
2-(4-chlorophenyl)-N-[2-[2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
CID 18564675
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998151
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750443
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 17013953
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 26292366
2-[4-(3,4-dimethoxyphenyl)phenyl]acetyl chloride
CID 126703654

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(3,4-dimethoxyphenyl)-1-methylpyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(3,4-dimethoxyphenyl)-1-methylpyrazol-4-yl]acetamide (CID 11361152) is 2-(4-chlorophenyl)-N-[3-(3,4-dimethoxyphenyl)-1-methylpyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(3,4-dimethoxyphenyl)-1-methylpyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(3,4-dimethoxyphenyl)-1-methylpyrazol-4-yl]acetamide is COc1ccc(-c2nn(C)cc2NC(=O)Cc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(3,4-dimethoxyphenyl)-1-methylpyrazol-4-yl]acetamide?
The InChIKey is VQNKAQSHJUIJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-24-12-16(22-19(25)10-13-4-7-15(21)8-5-13)20(23-24)14-6-9-17(26-2)18(11-14)27-3/h4-9,11-12H,10H2,1-3H3,(H,22,25).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(3,4-dimethoxyphenyl)-1-methylpyrazol-4-yl]acetamide?
2-(4-chlorophenyl)-N-[3-(3,4-dimethoxyphenyl)-1-methylpyrazol-4-yl]acetamide has a molecular weight of 385.85 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(3,4-dimethoxyphenyl)-1-methylpyrazol-4-yl]acetamide is sourced from PubChem (CID 11361152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).