2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)acetamide

C26H23Cl2N5O2 — CID 3313857

IUPAC2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
SMILESCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C26H23Cl2N5O2/c1-2-32(26(35)30-25-20(27)14-9-15-21(25)28)17-24(34)29-23-16-22(18-10-5-3-6-11-18)31-33(23)19-12-7-4-8-13-19/h3-16H,2,17H2,1H3,(H,29,34)(H,30,35)
InChIKeyYMFIRPWGQYONPG-UHFFFAOYSA-N
MW508.41 g/mol
LogP6.34
Rot. Bonds7

About 2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)acetamide

2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)acetamide (PubChem CID 3313857) has the molecular formula C26H23Cl2N5O2 and a molecular weight of 508.41 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
PubChem CID3313857
Molecular FormulaC26H23Cl2N5O2
Molecular Weight508.41 g/mol
Exact Mass507.12
IUPAC Name2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
SMILESCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C26H23Cl2N5O2/c1-2-32(26(35)30-25-20(27)14-9-15-21(25)28)17-24(34)29-23-16-22(18-10-5-3-6-11-18)31-33(23)19-12-7-4-8-13-19/h3-16H,2,17H2,1H3,(H,29,34)(H,30,35)
InChIKeyYMFIRPWGQYONPG-UHFFFAOYSA-N
XLogP6.34
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.41
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)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

N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-ethylamino]acetamide
CID 4543648
2-[(2,6-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3992046
N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl(phenylcarbamoyl)amino]acetamide
CID 3994195
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide
CID 1062156
N-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide
CID 3524528
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide
CID 1062155
2-[(2,6-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3682849
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide
CID 42731746
2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3491737
2-[ethyl-[(3-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 1060992
2-[(2-bromophenyl)carbamoyl-ethylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 1060987
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide
CID 42732017

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)acetamide (CID 3313857) is 2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)acetamide is CCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The InChIKey is YMFIRPWGQYONPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N5O2/c1-2-32(26(35)30-25-20(27)14-9-15-21(25)28)17-24(34)29-23-16-22(18-10-5-3-6-11-18)31-33(23)19-12-7-4-8-13-19/h3-16H,2,17H2,1H3,(H,29,34)(H,30,35).
What are the key properties of 2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)acetamide?
2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)acetamide has a molecular weight of 508.41 g/mol, XLogP of 6.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 3313857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).