2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-phenylacetamide

C20H19Cl2N3O — CID 39035133

IUPAC2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-phenylacetamide
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(C)c1ccccc1
InChIInChI=1S/C20H19Cl2N3O/c1-13-17(12-20(26)24(3)15-7-5-4-6-8-15)14(2)25(23-13)16-9-10-18(21)19(22)11-16/h4-11H,12H2,1-3H3
InChIKeyRNSRLLBLLFPJTQ-UHFFFAOYSA-N
MW388.30 g/mol
LogP5.00
Rot. Bonds4

About 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-phenylacetamide

2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-phenylacetamide (PubChem CID 39035133) has the molecular formula C20H19Cl2N3O and a molecular weight of 388.30 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-phenylacetamide
PubChem CID39035133
Molecular FormulaC20H19Cl2N3O
Molecular Weight388.30 g/mol
Exact Mass387.09
IUPAC Name2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-phenylacetamide
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(C)c1ccccc1
InChIInChI=1S/C20H19Cl2N3O/c1-13-17(12-20(26)24(3)15-7-5-4-6-8-15)14(2)25(23-13)16-9-10-18(21)19(22)11-16/h4-11H,12H2,1-3H3
InChIKeyRNSRLLBLLFPJTQ-UHFFFAOYSA-N
XLogP5.00
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.30
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61381106
2-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid
CID 119225822
N-(2-anilino-2-oxoethyl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55958417
N-cyclopropyl-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 55687223
2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 79149652
2-(3,4-dichlorophenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763365
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 39273650
3-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid
CID 119177582
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 39033208
3-[[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid
CID 119227970
methyl 2-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylpropanoate
CID 39459885
N-(1-amino-2-methylpropan-2-yl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride
CID 119524492

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-phenylacetamide (CID 39035133) is 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-phenylacetamide is Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(C)c1ccccc1.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-phenylacetamide?
The InChIKey is RNSRLLBLLFPJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O/c1-13-17(12-20(26)24(3)15-7-5-4-6-8-15)14(2)25(23-13)16-9-10-18(21)19(22)11-16/h4-11H,12H2,1-3H3.
What are the key properties of 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-phenylacetamide?
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-phenylacetamide has a molecular weight of 388.30 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 39035133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).