N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide

C25H30ClN5O — CID 55464336

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C25H30ClN5O/c1-19-22(20(2)31(28-19)17-21-8-4-3-5-9-21)16-27-25(32)18-29-12-14-30(15-13-29)24-11-7-6-10-23(24)26/h3-11H,12-18H2,1-2H3,(H,27,32)
InChIKeyVZSIXZWIJHPPCI-UHFFFAOYSA-N
MW452.00 g/mol
LogP3.64
Rot. Bonds7

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide (PubChem CID 55464336) has the molecular formula C25H30ClN5O and a molecular weight of 452.00 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
PubChem CID55464336
Molecular FormulaC25H30ClN5O
Molecular Weight452.00 g/mol
Exact Mass451.21
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C25H30ClN5O/c1-19-22(20(2)31(28-19)17-21-8-4-3-5-9-21)16-27-25(32)18-29-12-14-30(15-13-29)24-11-7-6-10-23(24)26/h3-11H,12-18H2,1-2H3,(H,27,32)
InChIKeyVZSIXZWIJHPPCI-UHFFFAOYSA-N
XLogP3.64
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.00
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-chlorophenyl)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

Related Compounds

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 24564882
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide
CID 24664290
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(4-chlorobenzoyl)piperidin-1-yl]acetamide
CID 55988727
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 24674498
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide
CID 55739313
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 36923501
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;dihydrochloride
CID 120772005
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,3-dicyclopropylpropanamide
CID 48574002
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119694423
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide (CID 55464336) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide?
The InChIKey is VZSIXZWIJHPPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O/c1-19-22(20(2)31(28-19)17-21-8-4-3-5-9-21)16-27-25(32)18-29-12-14-30(15-13-29)24-11-7-6-10-23(24)26/h3-11H,12-18H2,1-2H3,(H,27,32).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide has a molecular weight of 452.00 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55464336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).