2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide

C27H35N5O — CID 45278851

IUPAC2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide
SMILESCCCc1cc(CNC(=O)CN2CCN(c3ccc(C)cc3C)CC2)nn1-c1ccccc1
InChIInChI=1S/C27H35N5O/c1-4-8-25-18-23(29-32(25)24-9-6-5-7-10-24)19-28-27(33)20-30-13-15-31(16-14-30)26-12-11-21(2)17-22(26)3/h5-7,9-12,17-18H,4,8,13-16,19-20H2,1-3H3,(H,28,33)
InChIKeyMMWDLFFGYLWAIK-UHFFFAOYSA-N
MW445.61 g/mol
LogP3.88
Rot. Bonds8

About 2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide

2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide (PubChem CID 45278851) has the molecular formula C27H35N5O and a molecular weight of 445.61 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide
PubChem CID45278851
Molecular FormulaC27H35N5O
Molecular Weight445.61 g/mol
Exact Mass445.28
IUPAC Name2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide
SMILESCCCc1cc(CNC(=O)CN2CCN(c3ccc(C)cc3C)CC2)nn1-c1ccccc1
InChIInChI=1S/C27H35N5O/c1-4-8-25-18-23(29-32(25)24-9-6-5-7-10-24)19-28-27(33)20-30-13-15-31(16-14-30)26-12-11-21(2)17-22(26)3/h5-7,9-12,17-18H,4,8,13-16,19-20H2,1-3H3,(H,28,33)
InChIKeyMMWDLFFGYLWAIK-UHFFFAOYSA-N
XLogP3.88
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide
CID 45278849
2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[[5-(4-methanethioylphenyl)-1-phenylpyrazol-3-yl]methyl]acetamide
CID 87507494
1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine
CID 68559968
1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methylamino]ethanone
CID 45279532
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]propan-1-amine
CID 68974455
1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine
CID 25065047
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 18196341
N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 45278687
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 91831816
1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[[5-(furan-2-yl)-1-phenylpyrazol-3-yl]methylamino]ethanone
CID 45279622
N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 45278519
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46056291

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide (CID 45278851) is 2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide is CCCc1cc(CNC(=O)CN2CCN(c3ccc(C)cc3C)CC2)nn1-c1ccccc1.
What is the InChIKey of 2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide?
The InChIKey is MMWDLFFGYLWAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O/c1-4-8-25-18-23(29-32(25)24-9-6-5-7-10-24)19-28-27(33)20-30-13-15-31(16-14-30)26-12-11-21(2)17-22(26)3/h5-7,9-12,17-18H,4,8,13-16,19-20H2,1-3H3,(H,28,33).
What are the key properties of 2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide?
2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide has a molecular weight of 445.61 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 45278851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).