N-(3,4-dichlorophenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide

C17H21Cl2N5O — CID 90507366

IUPACN-(3,4-dichlorophenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide
SMILESCc1n[nH]c(C)c1N1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H21Cl2N5O/c1-11-17(12(2)22-21-11)24-7-5-23(6-8-24)10-16(25)20-13-3-4-14(18)15(19)9-13/h3-4,9H,5-8,10H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyVNTGSLPPMNWZDL-UHFFFAOYSA-N
MW382.30 g/mol
LogP3.09
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide

N-(3,4-dichlorophenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide (PubChem CID 90507366) has the molecular formula C17H21Cl2N5O and a molecular weight of 382.30 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide
PubChem CID90507366
Molecular FormulaC17H21Cl2N5O
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC NameN-(3,4-dichlorophenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide
SMILESCc1n[nH]c(C)c1N1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H21Cl2N5O/c1-11-17(12(2)22-21-11)24-7-5-23(6-8-24)10-16(25)20-13-3-4-14(18)15(19)9-13/h3-4,9H,5-8,10H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyVNTGSLPPMNWZDL-UHFFFAOYSA-N
XLogP3.09
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dichlorophenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)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-(3,4-dimethylphenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide
CID 90507419
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90507381
N-(3,4-dichlorophenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725978
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 90507422
N-(4-chlorophenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide
CID 90506985
N-(3,4-dichlorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 18136524
N-(3-chloro-4-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690802
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 17279131
N-(3,4-dichlorophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305044
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 22194789
N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide
CID 45032288

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide (CID 90507366) is N-(3,4-dichlorophenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide is Cc1n[nH]c(C)c1N1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide?
The InChIKey is VNTGSLPPMNWZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N5O/c1-11-17(12(2)22-21-11)24-7-5-23(6-8-24)10-16(25)20-13-3-4-14(18)15(19)9-13/h3-4,9H,5-8,10H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of N-(3,4-dichlorophenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide?
N-(3,4-dichlorophenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide has a molecular weight of 382.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 90507366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).