2-(3,4-dichlorophenyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]acetamide

C21H21Cl2N3O3 — CID 60585679

IUPAC2-(3,4-dichlorophenyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]acetamide
SMILESCOc1ccc(Cn2ncc(C)c2NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C21H21Cl2N3O3/c1-13-11-24-26(12-15-5-7-18(28-2)19(9-15)29-3)21(13)25-20(27)10-14-4-6-16(22)17(23)8-14/h4-9,11H,10,12H2,1-3H3,(H,25,27)
InChIKeyDCLXPQLKCRWSKT-UHFFFAOYSA-N
MW434.32 g/mol
LogP4.75
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]acetamide

2-(3,4-dichlorophenyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]acetamide (PubChem CID 60585679) has the molecular formula C21H21Cl2N3O3 and a molecular weight of 434.32 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]acetamide
PubChem CID60585679
Molecular FormulaC21H21Cl2N3O3
Molecular Weight434.32 g/mol
Exact Mass433.10
IUPAC Name2-(3,4-dichlorophenyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]acetamide
SMILESCOc1ccc(Cn2ncc(C)c2NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C21H21Cl2N3O3/c1-13-11-24-26(12-15-5-7-18(28-2)19(9-15)29-3)21(13)25-20(27)10-14-4-6-16(22)17(23)8-14/h4-9,11H,10,12H2,1-3H3,(H,25,27)
InChIKeyDCLXPQLKCRWSKT-UHFFFAOYSA-N
XLogP4.75
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]propanamide
CID 60585877
N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 60585893
2-(aminomethyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119749277
N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 47074150
N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60585842
2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691199
2-(3,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2555577
N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 47074151
methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate
CID 38236695
N-(5-amino-2-chlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 28867944
2-(3,4-dichlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 8810777
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 3482890

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]acetamide (CID 60585679) is 2-(3,4-dichlorophenyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]acetamide is COc1ccc(Cn2ncc(C)c2NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1OC.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]acetamide?
The InChIKey is DCLXPQLKCRWSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O3/c1-13-11-24-26(12-15-5-7-18(28-2)19(9-15)29-3)21(13)25-20(27)10-14-4-6-16(22)17(23)8-14/h4-9,11H,10,12H2,1-3H3,(H,25,27).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]acetamide?
2-(3,4-dichlorophenyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]acetamide has a molecular weight of 434.32 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]acetamide is sourced from PubChem (CID 60585679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).