2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride

C22H34ClN5O — CID 171667377

IUPAC2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
SMILESCCn1cc(CN2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)c(C)n1.Cl
InChIInChI=1S/C22H33N5O.ClH/c1-6-27-14-20(19(5)24-27)13-25-7-9-26(10-8-25)15-21(28)23-22-17(3)11-16(2)12-18(22)4;/h11-12,14H,6-10,13,15H2,1-5H3,(H,23,28);1H
InChIKeyQNMWUZBOOKDKTP-UHFFFAOYSA-N
MW420.00 g/mol
LogP3.31
Rot. Bonds6

About 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride

2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride (PubChem CID 171667377) has the molecular formula C22H34ClN5O and a molecular weight of 420.00 g/mol. Its IUPAC name is 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
PubChem CID171667377
Molecular FormulaC22H34ClN5O
Molecular Weight420.00 g/mol
Exact Mass419.25
IUPAC Name2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
SMILESCCn1cc(CN2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)c(C)n1.Cl
InChIInChI=1S/C22H33N5O.ClH/c1-6-27-14-20(19(5)24-27)13-25-7-9-26(10-8-25)15-21(28)23-22-17(3)11-16(2)12-18(22)4;/h11-12,14H,6-10,13,15H2,1-5H3,(H,23,28);1H
InChIKeyQNMWUZBOOKDKTP-UHFFFAOYSA-N
XLogP3.31
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.00
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride 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 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride (CID 171667377) is 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride is CCn1cc(CN2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)c(C)n1.Cl.
What is the InChIKey of 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The InChIKey is QNMWUZBOOKDKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O.ClH/c1-6-27-14-20(19(5)24-27)13-25-7-9-26(10-8-25)15-21(28)23-22-17(3)11-16(2)12-18(22)4;/h11-12,14H,6-10,13,15H2,1-5H3,(H,23,28);1H.
What are the key properties of 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride has a molecular weight of 420.00 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 171667377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).