5-methyl-1-(2-methylphenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one

C18H22N4O2 — CID 70761246

IUPAC5-methyl-1-(2-methylphenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one
SMILESCc1ccccc1N1CC(C)N(C(=O)CCn2cccn2)CC1=O
InChIInChI=1S/C18H22N4O2/c1-14-6-3-4-7-16(14)22-12-15(2)21(13-18(22)24)17(23)8-11-20-10-5-9-19-20/h3-7,9-10,15H,8,11-13H2,1-2H3
InChIKeyHGAWVAWAMOTIIX-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.85
Rot. Bonds4

About 5-methyl-1-(2-methylphenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one

5-methyl-1-(2-methylphenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one (PubChem CID 70761246) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one
PubChem CID70761246
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-methyl-1-(2-methylphenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one
SMILESCc1ccccc1N1CC(C)N(C(=O)CCn2cccn2)CC1=O
InChIInChI=1S/C18H22N4O2/c1-14-6-3-4-7-16(14)22-12-15(2)21(13-18(22)24)17(23)8-11-20-10-5-9-19-20/h3-7,9-10,15H,8,11-13H2,1-2H3
InChIKeyHGAWVAWAMOTIIX-UHFFFAOYSA-N
XLogP1.85
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one?
The IUPAC name of 5-methyl-1-(2-methylphenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one (CID 70761246) is 5-methyl-1-(2-methylphenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one is Cc1ccccc1N1CC(C)N(C(=O)CCn2cccn2)CC1=O.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one?
The InChIKey is HGAWVAWAMOTIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-14-6-3-4-7-16(14)22-12-15(2)21(13-18(22)24)17(23)8-11-20-10-5-9-19-20/h3-7,9-10,15H,8,11-13H2,1-2H3.
What are the key properties of 5-methyl-1-(2-methylphenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one?
5-methyl-1-(2-methylphenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one has a molecular weight of 326.40 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one is sourced from PubChem (CID 70761246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).