N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide

C26H30ClN5O2 — CID 55566373

IUPACN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide
SMILESCC(C)(C(=O)N1CCN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C26H30ClN5O2/c1-26(2,21-9-4-3-5-10-21)25(34)31-16-14-30(15-17-31)19-24(33)29-23-12-13-28-32(23)18-20-8-6-7-11-22(20)27/h3-13H,14-19H2,1-2H3,(H,29,33)
InChIKeyIBLPZKFSRBJOIJ-UHFFFAOYSA-N
MW480.01 g/mol
LogP3.65
Rot. Bonds7

About N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide (PubChem CID 55566373) has the molecular formula C26H30ClN5O2 and a molecular weight of 480.01 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide
PubChem CID55566373
Molecular FormulaC26H30ClN5O2
Molecular Weight480.01 g/mol
Exact Mass479.21
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide
SMILESCC(C)(C(=O)N1CCN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C26H30ClN5O2/c1-26(2,21-9-4-3-5-10-21)25(34)31-16-14-30(15-17-31)19-24(33)29-23-12-13-28-32(23)18-20-8-6-7-11-22(20)27/h3-13H,14-19H2,1-2H3,(H,29,33)
InChIKeyIBLPZKFSRBJOIJ-UHFFFAOYSA-N
XLogP3.65
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide (CID 55566373) is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide is CC(C)(C(=O)N1CCN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1)c1ccccc1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide?
The InChIKey is IBLPZKFSRBJOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O2/c1-26(2,21-9-4-3-5-10-21)25(34)31-16-14-30(15-17-31)19-24(33)29-23-12-13-28-32(23)18-20-8-6-7-11-22(20)27/h3-13H,14-19H2,1-2H3,(H,29,33).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide?
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide has a molecular weight of 480.01 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55566373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).