4-benzyl-5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one

C24H29N3O — CID 3025440

IUPAC4-benzyl-5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one
SMILESCC1CN(C)C(C)CC1N1N=C(c2ccccc2)C(Cc2ccccc2)C1=O
InChIInChI=1S/C24H29N3O/c1-17-16-26(3)18(2)14-22(17)27-24(28)21(15-19-10-6-4-7-11-19)23(25-27)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3
InChIKeyDWQLEFWPQKQLLI-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.82
Rot. Bonds4

About 4-benzyl-5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one

4-benzyl-5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one (PubChem CID 3025440) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-benzyl-5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-benzyl-5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one
PubChem CID3025440
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name4-benzyl-5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one
SMILESCC1CN(C)C(C)CC1N1N=C(c2ccccc2)C(Cc2ccccc2)C1=O
InChIInChI=1S/C24H29N3O/c1-17-16-26(3)18(2)14-22(17)27-24(28)21(15-19-10-6-4-7-11-19)23(25-27)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3
InChIKeyDWQLEFWPQKQLLI-UHFFFAOYSA-N
XLogP3.82
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one?
The IUPAC name of 4-benzyl-5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one (CID 3025440) is 4-benzyl-5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one.
What is the SMILES notation for 4-benzyl-5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one?
The canonical SMILES for 4-benzyl-5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one is CC1CN(C)C(C)CC1N1N=C(c2ccccc2)C(Cc2ccccc2)C1=O.
What is the InChIKey of 4-benzyl-5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one?
The InChIKey is DWQLEFWPQKQLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-17-16-26(3)18(2)14-22(17)27-24(28)21(15-19-10-6-4-7-11-19)23(25-27)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3.
What are the key properties of 4-benzyl-5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one?
4-benzyl-5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one has a molecular weight of 375.52 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one is sourced from PubChem (CID 3025440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).