2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

C27H33N5O2 — CID 55576311

IUPAC2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)c2cnn(-c3ccc(C)cc3)c2CC)CC1
InChIInChI=1S/C27H33N5O2/c1-4-21-8-6-7-9-24(21)29-26(33)19-30-14-16-31(17-15-30)27(34)23-18-28-32(25(23)5-2)22-12-10-20(3)11-13-22/h6-13,18H,4-5,14-17,19H2,1-3H3,(H,29,33)
InChIKeyDMSHLNQGGVTBNN-UHFFFAOYSA-N
MW459.59 g/mol
LogP3.70
Rot. Bonds7

About 2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 55576311) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID55576311
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC Name2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)c2cnn(-c3ccc(C)cc3)c2CC)CC1
InChIInChI=1S/C27H33N5O2/c1-4-21-8-6-7-9-24(21)29-26(33)19-30-14-16-31(17-15-30)27(34)23-18-28-32(25(23)5-2)22-12-10-20(3)11-13-22/h6-13,18H,4-5,14-17,19H2,1-3H3,(H,29,33)
InChIKeyDMSHLNQGGVTBNN-UHFFFAOYSA-N
XLogP3.70
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)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

2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 39325357
(5-ethyl-1-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110885784
N-(2-ethylphenyl)-2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 32709303
N-(2-ethylphenyl)-2-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazin-1-yl]acetamide
CID 27851779
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
N-(2-ethylphenyl)-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 27852116
N-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide
CID 31905864
N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 46582435
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 27851954
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone
CID 37273958
N-(2-ethylphenyl)-2-[4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]acetamide
CID 24610540

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (CID 55576311) is 2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cnn(-c3ccc(C)cc3)c2CC)CC1.
What is the InChIKey of 2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is DMSHLNQGGVTBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-4-21-8-6-7-9-24(21)29-26(33)19-30-14-16-31(17-15-30)27(34)23-18-28-32(25(23)5-2)22-12-10-20(3)11-13-22/h6-13,18H,4-5,14-17,19H2,1-3H3,(H,29,33).
What are the key properties of 2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 459.59 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 55576311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).