2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

C24H23Cl2N5O — CID 46491494

IUPAC2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C24H23Cl2N5O/c1-16-21(17(2)31(29-16)23-9-8-20(25)12-22(23)26)13-24(32)27-14-18-6-3-4-7-19(18)15-30-11-5-10-28-30/h3-12H,13-15H2,1-2H3,(H,27,32)
InChIKeyXVZUHVHKRWGZQR-UHFFFAOYSA-N
MW468.39 g/mol
LogP4.90
Rot. Bonds7

About 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 46491494) has the molecular formula C24H23Cl2N5O and a molecular weight of 468.39 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID46491494
Molecular FormulaC24H23Cl2N5O
Molecular Weight468.39 g/mol
Exact Mass467.13
IUPAC Name2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C24H23Cl2N5O/c1-16-21(17(2)31(29-16)23-9-8-20(25)12-22(23)26)13-24(32)27-14-18-6-3-4-7-19(18)15-30-11-5-10-28-30/h3-12H,13-15H2,1-2H3,(H,27,32)
InChIKeyXVZUHVHKRWGZQR-UHFFFAOYSA-N
XLogP4.90
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 46491494) is 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCc1ccccc1Cn1cccn1.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is XVZUHVHKRWGZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5O/c1-16-21(17(2)31(29-16)23-9-8-20(25)12-22(23)26)13-24(32)27-14-18-6-3-4-7-19(18)15-30-11-5-10-28-30/h3-12H,13-15H2,1-2H3,(H,27,32).
What are the key properties of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 468.39 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 46491494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).