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

C23H26N4O — CID 18199936

IUPAC3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-methylphenyl)methyl]piperazin-2-one
SMILESCc1ccc(CN2CCNC(=O)C2c2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C23H26N4O/c1-16-9-11-19(12-10-16)15-26-14-13-24-23(28)22(26)21-17(2)25-27(18(21)3)20-7-5-4-6-8-20/h4-12,22H,13-15H2,1-3H3,(H,24,28)
InChIKeyDEQWJIOMXNNVSX-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.47
Rot. Bonds4

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

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-methylphenyl)methyl]piperazin-2-one (PubChem CID 18199936) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-methylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-methylphenyl)methyl]piperazin-2-one
PubChem CID18199936
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-methylphenyl)methyl]piperazin-2-one
SMILESCc1ccc(CN2CCNC(=O)C2c2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C23H26N4O/c1-16-9-11-19(12-10-16)15-26-14-13-24-23(28)22(26)21-17(2)25-27(18(21)3)20-7-5-4-6-8-20/h4-12,22H,13-15H2,1-3H3,(H,24,28)
InChIKeyDEQWJIOMXNNVSX-UHFFFAOYSA-N
XLogP3.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-methylphenyl)methyl]piperazin-2-one?
The IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-methylphenyl)methyl]piperazin-2-one (CID 18199936) is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-methylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-methylphenyl)methyl]piperazin-2-one?
The canonical SMILES for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-methylphenyl)methyl]piperazin-2-one is Cc1ccc(CN2CCNC(=O)C2c2c(C)nn(-c3ccccc3)c2C)cc1.
What is the InChIKey of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-methylphenyl)methyl]piperazin-2-one?
The InChIKey is DEQWJIOMXNNVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16-9-11-19(12-10-16)15-26-14-13-24-23(28)22(26)21-17(2)25-27(18(21)3)20-7-5-4-6-8-20/h4-12,22H,13-15H2,1-3H3,(H,24,28).
What are the key properties of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-methylphenyl)methyl]piperazin-2-one?
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-methylphenyl)methyl]piperazin-2-one has a molecular weight of 374.49 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-methylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 18199936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).