3-(2,3-dichlorophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanamide

C21H21Cl2N3O — CID 38950448

IUPAC3-(2,3-dichlorophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)CCc3cccc(Cl)c3Cl)c2C)cc1
InChIInChI=1S/C21H21Cl2N3O/c1-13-7-10-17(11-8-13)26-15(3)21(14(2)25-26)24-19(27)12-9-16-5-4-6-18(22)20(16)23/h4-8,10-11H,9,12H2,1-3H3,(H,24,27)
InChIKeyJAQBRAVIKUDMOD-UHFFFAOYSA-N
MW402.33 g/mol
LogP5.68
Rot. Bonds5

About 3-(2,3-dichlorophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanamide

3-(2,3-dichlorophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanamide (PubChem CID 38950448) has the molecular formula C21H21Cl2N3O and a molecular weight of 402.33 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanamide
PubChem CID38950448
Molecular FormulaC21H21Cl2N3O
Molecular Weight402.33 g/mol
Exact Mass401.11
IUPAC Name3-(2,3-dichlorophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)CCc3cccc(Cl)c3Cl)c2C)cc1
InChIInChI=1S/C21H21Cl2N3O/c1-13-7-10-17(11-8-13)26-15(3)21(14(2)25-26)24-19(27)12-9-16-5-4-6-18(22)20(16)23/h4-8,10-11H,9,12H2,1-3H3,(H,24,27)
InChIKeyJAQBRAVIKUDMOD-UHFFFAOYSA-N
XLogP5.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.33
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylphenyl)acetamide
CID 24659529
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide
CID 38199854
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 24672665
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide
CID 42989450
[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 3-acetamidobenzoate
CID 8820955
[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 40553068
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392246
2-benzhydrylsulfanyl-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 24659414
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 34131929
3-(2,3-dichlorophenyl)-N-phenylpropanamide
CID 38885504
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528207
[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate
CID 31671650

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanamide (CID 38950448) is 3-(2,3-dichlorophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanamide is Cc1ccc(-n2nc(C)c(NC(=O)CCc3cccc(Cl)c3Cl)c2C)cc1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanamide?
The InChIKey is JAQBRAVIKUDMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O/c1-13-7-10-17(11-8-13)26-15(3)21(14(2)25-26)24-19(27)12-9-16-5-4-6-18(22)20(16)23/h4-8,10-11H,9,12H2,1-3H3,(H,24,27).
What are the key properties of 3-(2,3-dichlorophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanamide?
3-(2,3-dichlorophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanamide has a molecular weight of 402.33 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 38950448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).