2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide

C25H29N5O2 — CID 46410529

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H29N5O2/c1-19-23(20(2)30(27-19)22-11-7-4-8-12-22)24(31)25(32)26-13-14-28-15-17-29(18-16-28)21-9-5-3-6-10-21/h3-12H,13-18H2,1-2H3,(H,26,32)
InChIKeyACQHHXBYZPWYLH-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.61
Rot. Bonds7

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide (PubChem CID 46410529) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
PubChem CID46410529
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H29N5O2/c1-19-23(20(2)30(27-19)22-11-7-4-8-12-22)24(31)25(32)26-13-14-28-15-17-29(18-16-28)21-9-5-3-6-10-21/h3-12H,13-18H2,1-2H3,(H,26,32)
InChIKeyACQHHXBYZPWYLH-UHFFFAOYSA-N
XLogP2.61
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 55695000
3,5-dimethyl-1-phenyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
CID 119444997
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24550661
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 27760714
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 49356434
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-oxoacetamide
CID 30710069
N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268265
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33138536
N-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 51273944
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(3-methylphenoxy)propyl]-2-oxoacetamide
CID 42575957
3,5-dimethyl-1-phenyl-N-(2-sulfanylethyl)pyrazole-4-carboxamide
CID 13170727

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide (CID 46410529) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is ACQHHXBYZPWYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-19-23(20(2)30(27-19)22-11-7-4-8-12-22)24(31)25(32)26-13-14-28-15-17-29(18-16-28)21-9-5-3-6-10-21/h3-12H,13-18H2,1-2H3,(H,26,32).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 46410529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).