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

C25H31N5O — CID 45278849

IUPAC2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide
SMILESCCCc1cc(CNC(=O)CN2CCN(c3ccccc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C25H31N5O/c1-2-9-24-18-21(27-30(24)23-12-7-4-8-13-23)19-26-25(31)20-28-14-16-29(17-15-28)22-10-5-3-6-11-22/h3-8,10-13,18H,2,9,14-17,19-20H2,1H3,(H,26,31)
InChIKeyLLJJDYPSVSTKGB-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.26
Rot. Bonds8

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

2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide (PubChem CID 45278849) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide
PubChem CID45278849
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide
SMILESCCCc1cc(CNC(=O)CN2CCN(c3ccccc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C25H31N5O/c1-2-9-24-18-21(27-30(24)23-12-7-4-8-13-23)19-26-25(31)20-28-14-16-29(17-15-28)22-10-5-3-6-11-22/h3-8,10-13,18H,2,9,14-17,19-20H2,1H3,(H,26,31)
InChIKeyLLJJDYPSVSTKGB-UHFFFAOYSA-N
XLogP3.26
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide
CID 45278851
N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 45278687
1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine
CID 68557259
2-(4-phenylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 42859124
2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[[5-(4-methanethioylphenyl)-1-phenylpyrazol-3-yl]methyl]acetamide
CID 87507494
N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 36845543
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]propan-1-amine
CID 68974455
N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 26041068
N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 45278519
N-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-(5-methyl-1-phenylpyrazol-3-yl)acetamide
CID 140548636
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 91831816
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 24564882

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide (CID 45278849) is 2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide is CCCc1cc(CNC(=O)CN2CCN(c3ccccc3)CC2)nn1-c1ccccc1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide?
The InChIKey is LLJJDYPSVSTKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c1-2-9-24-18-21(27-30(24)23-12-7-4-8-13-23)19-26-25(31)20-28-14-16-29(17-15-28)22-10-5-3-6-11-22/h3-8,10-13,18H,2,9,14-17,19-20H2,1H3,(H,26,31).
What are the key properties of 2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide?
2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide has a molecular weight of 417.56 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 45278849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).