2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone

C24H28N4O — CID 9225031

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1ccccc1N1CCN(C(=O)Cc2c(C)nn(-c3ccccc3)c2C)CC1
InChIInChI=1S/C24H28N4O/c1-18-9-7-8-12-23(18)26-13-15-27(16-14-26)24(29)17-22-19(2)25-28(20(22)3)21-10-5-4-6-11-21/h4-12H,13-17H2,1-3H3
InChIKeyNVHQFPGLVPIVML-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.69
Rot. Bonds4

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 9225031) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
PubChem CID9225031
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1ccccc1N1CCN(C(=O)Cc2c(C)nn(-c3ccccc3)c2C)CC1
InChIInChI=1S/C24H28N4O/c1-18-9-7-8-12-23(18)26-13-15-27(16-14-26)24(29)17-22-19(2)25-28(20(22)3)21-10-5-4-6-11-21/h4-12H,13-17H2,1-3H3
InChIKeyNVHQFPGLVPIVML-UHFFFAOYSA-N
XLogP3.69
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone (CID 9225031) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone is Cc1ccccc1N1CCN(C(=O)Cc2c(C)nn(-c3ccccc3)c2C)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is NVHQFPGLVPIVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18-9-7-8-12-23(18)26-13-15-27(16-14-26)24(29)17-22-19(2)25-28(20(22)3)21-10-5-4-6-11-21/h4-12H,13-17H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 388.52 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 9225031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).