N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide

C30H31Cl2N5O2 — CID 4688923

IUPACN-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide
SMILESCc1ccc(NC(=O)N(CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)CC(C)C)c(C)c1
InChIInChI=1S/C30H31Cl2N5O2/c1-19(2)17-36(30(39)33-26-13-10-20(3)14-21(26)4)18-29(38)34-28-16-27(22-8-6-5-7-9-22)35-37(28)23-11-12-24(31)25(32)15-23/h5-16,19H,17-18H2,1-4H3,(H,33,39)(H,34,38)
InChIKeyAGZAGVADODHLJI-UHFFFAOYSA-N
MW564.52 g/mol
LogP7.59
Rot. Bonds8

About N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide

N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide (PubChem CID 4688923) has the molecular formula C30H31Cl2N5O2 and a molecular weight of 564.52 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide
PubChem CID4688923
Molecular FormulaC30H31Cl2N5O2
Molecular Weight564.52 g/mol
Exact Mass563.19
IUPAC NameN-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide
SMILESCc1ccc(NC(=O)N(CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)CC(C)C)c(C)c1
InChIInChI=1S/C30H31Cl2N5O2/c1-19(2)17-36(30(39)33-26-13-10-20(3)14-21(26)4)18-29(38)34-28-16-27(22-8-6-5-7-9-22)35-37(28)23-11-12-24(31)25(32)15-23/h5-16,19H,17-18H2,1-4H3,(H,33,39)(H,34,38)
InChIKeyAGZAGVADODHLJI-UHFFFAOYSA-N
XLogP7.59
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.52
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2,6-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3682849
N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 42732528
N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl(phenylcarbamoyl)amino]acetamide
CID 3994195
2-[benzyl-[(2,4-dimethylphenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]acetamide
CID 4552308
2-[(2,6-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3992046
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 4011810
N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 4587676
2-[butyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3376227
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclohexanecarboxamide
CID 1060914
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 42741294
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-4-phenylbenzamide
CID 42732118
2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 5033485

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide (CID 4688923) is N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide is Cc1ccc(NC(=O)N(CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)CC(C)C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide?
The InChIKey is AGZAGVADODHLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31Cl2N5O2/c1-19(2)17-36(30(39)33-26-13-10-20(3)14-21(26)4)18-29(38)34-28-16-27(22-8-6-5-7-9-22)35-37(28)23-11-12-24(31)25(32)15-23/h5-16,19H,17-18H2,1-4H3,(H,33,39)(H,34,38).
What are the key properties of N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide?
N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide has a molecular weight of 564.52 g/mol, XLogP of 7.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 4688923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).