2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]acetamide

C24H27Cl2N5O2 — CID 55800468

IUPAC2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]acetamide
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCc1cccc(NC(=O)CN(C)C)c1
InChIInChI=1S/C24H27Cl2N5O2/c1-15-20(16(2)31(29-15)22-9-8-18(25)11-21(22)26)12-23(32)27-13-17-6-5-7-19(10-17)28-24(33)14-30(3)4/h5-11H,12-14H2,1-4H3,(H,27,32)(H,28,33)
InChIKeyARDFXTVIIRSSMM-UHFFFAOYSA-N
MW488.42 g/mol
LogP4.15
Rot. Bonds8

About 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]acetamide

2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]acetamide (PubChem CID 55800468) has the molecular formula C24H27Cl2N5O2 and a molecular weight of 488.42 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]acetamide
PubChem CID55800468
Molecular FormulaC24H27Cl2N5O2
Molecular Weight488.42 g/mol
Exact Mass487.15
IUPAC Name2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]acetamide
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCc1cccc(NC(=O)CN(C)C)c1
InChIInChI=1S/C24H27Cl2N5O2/c1-15-20(16(2)31(29-15)22-9-8-18(25)11-21(22)26)12-23(32)27-13-17-6-5-7-19(10-17)28-24(33)14-30(3)4/h5-11H,12-14H2,1-4H3,(H,27,32)(H,28,33)
InChIKeyARDFXTVIIRSSMM-UHFFFAOYSA-N
XLogP4.15
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.42
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 55755549
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide
CID 60509074
2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]acetic acid
CID 119171332
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]acetamide
CID 55955069
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 46491494
5-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]pentanoic acid
CID 119234526
methyl 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61381135
2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-ethylamino]acetic acid
CID 119205994
1-(4-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55973072
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 86998087
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514667
4-(4-chloro-2-methylphenoxy)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide
CID 55797087

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]acetamide?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]acetamide (CID 55800468) is 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]acetamide.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]acetamide?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]acetamide is Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCc1cccc(NC(=O)CN(C)C)c1.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]acetamide?
The InChIKey is ARDFXTVIIRSSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O2/c1-15-20(16(2)31(29-15)22-9-8-18(25)11-21(22)26)12-23(32)27-13-17-6-5-7-19(10-17)28-24(33)14-30(3)4/h5-11H,12-14H2,1-4H3,(H,27,32)(H,28,33).
What are the key properties of 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]acetamide?
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]acetamide has a molecular weight of 488.42 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 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-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]acetamide is sourced from PubChem (CID 55800468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).