(4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone

C20H26N4O2 — CID 33168964

IUPAC(4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-5-16-6-8-17(9-7-16)19(25)23-10-12-24(13-11-23)20(26)18-14(2)21-22(4)15(18)3/h6-9H,5,10-13H2,1-4H3
InChIKeyXJEUXRATHIZSRZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.20
Rot. Bonds3

About (4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone

(4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 33168964) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone
PubChem CID33168964
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-5-16-6-8-17(9-7-16)19(25)23-10-12-24(13-11-23)20(26)18-14(2)21-22(4)15(18)3/h6-9H,5,10-13H2,1-4H3
InChIKeyXJEUXRATHIZSRZ-UHFFFAOYSA-N
XLogP2.20
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone 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

(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 113222398
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 94575589
[4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 43251610
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
N-(4-ethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281528
(4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 121184183
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 119292854
[4-(benzenesulfonyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 38071484
[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 56922533
(4-benzylsulfonylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 119105558
(4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94063036

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone (CID 33168964) is (4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is XJEUXRATHIZSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-5-16-6-8-17(9-7-16)19(25)23-10-12-24(13-11-23)20(26)18-14(2)21-22(4)15(18)3/h6-9H,5,10-13H2,1-4H3.
What are the key properties of (4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone?
(4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 354.45 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 33168964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).