2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide

C20H19Cl2N3O — CID 10872782

IUPAC2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide
SMILESCc1cccc(-n2cc(CC(=O)N(C)C)c(-c3ccc(Cl)c(Cl)c3)n2)c1
InChIInChI=1S/C20H19Cl2N3O/c1-13-5-4-6-16(9-13)25-12-15(11-19(26)24(2)3)20(23-25)14-7-8-17(21)18(22)10-14/h4-10,12H,11H2,1-3H3
InChIKeyXLWQMXYGZPCGQT-UHFFFAOYSA-N
MW388.30 g/mol
LogP4.79
Rot. Bonds4

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

2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide (PubChem CID 10872782) has the molecular formula C20H19Cl2N3O and a molecular weight of 388.30 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide
PubChem CID10872782
Molecular FormulaC20H19Cl2N3O
Molecular Weight388.30 g/mol
Exact Mass387.09
IUPAC Name2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide
SMILESCc1cccc(-n2cc(CC(=O)N(C)C)c(-c3ccc(Cl)c(Cl)c3)n2)c1
InChIInChI=1S/C20H19Cl2N3O/c1-13-5-4-6-16(9-13)25-12-15(11-19(26)24(2)3)20(23-25)14-7-8-17(21)18(22)10-14/h4-10,12H,11H2,1-3H3
InChIKeyXLWQMXYGZPCGQT-UHFFFAOYSA-N
XLogP4.79
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]-N,N-dimethylacetamide
CID 11048260
N,N-dimethyl-2-[3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
CID 11784017
2-[3-(3,4-dichlorophenyl)-1-(3-nitrophenyl)pyrazol-4-yl]acetamide
CID 11132930
2-[3-(9,10-dihydrophenanthren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide
CID 11081267
2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-phenylacetamide
CID 11827067
[3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
CID 4995785
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,3-dimethylbenzamide
CID 18205415
[3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine
CID 28910823
[2-[4-[2-(dimethylamino)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-9H-fluoren-9-yl] acetate
CID 10951429
2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 20542672
(2S)-2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]propanamide
CID 29181710
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 46467129

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide (CID 10872782) is 2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide is Cc1cccc(-n2cc(CC(=O)N(C)C)c(-c3ccc(Cl)c(Cl)c3)n2)c1.
What is the InChIKey of 2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide?
The InChIKey is XLWQMXYGZPCGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O/c1-13-5-4-6-16(9-13)25-12-15(11-19(26)24(2)3)20(23-25)14-7-8-17(21)18(22)10-14/h4-10,12H,11H2,1-3H3.
What are the key properties of 2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide?
2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide has a molecular weight of 388.30 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 10872782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).