1,5-dimethyl-4-[[methyl(2-phenylethyl)amino]methyl]-2-phenylpyrazol-3-one

C21H25N3O — CID 757978

IUPAC1,5-dimethyl-4-[[methyl(2-phenylethyl)amino]methyl]-2-phenylpyrazol-3-one
SMILESCc1c(CN(C)CCc2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H25N3O/c1-17-20(16-22(2)15-14-18-10-6-4-7-11-18)21(25)24(23(17)3)19-12-8-5-9-13-19/h4-13H,14-16H2,1-3H3
InChIKeyGUZUAIAOPVUQRY-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.16
Rot. Bonds6

About 1,5-dimethyl-4-[[methyl(2-phenylethyl)amino]methyl]-2-phenylpyrazol-3-one

1,5-dimethyl-4-[[methyl(2-phenylethyl)amino]methyl]-2-phenylpyrazol-3-one (PubChem CID 757978) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 1,5-dimethyl-4-[[methyl(2-phenylethyl)amino]methyl]-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name1,5-dimethyl-4-[[methyl(2-phenylethyl)amino]methyl]-2-phenylpyrazol-3-one
PubChem CID757978
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name1,5-dimethyl-4-[[methyl(2-phenylethyl)amino]methyl]-2-phenylpyrazol-3-one
SMILESCc1c(CN(C)CCc2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H25N3O/c1-17-20(16-22(2)15-14-18-10-6-4-7-11-18)21(25)24(23(17)3)19-12-8-5-9-13-19/h4-13H,14-16H2,1-3H3
InChIKeyGUZUAIAOPVUQRY-UHFFFAOYSA-N
XLogP3.16
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[[methyl(2-phenylethyl)amino]methyl]-2-phenylpyrazol-3-one?
The IUPAC name of 1,5-dimethyl-4-[[methyl(2-phenylethyl)amino]methyl]-2-phenylpyrazol-3-one (CID 757978) is 1,5-dimethyl-4-[[methyl(2-phenylethyl)amino]methyl]-2-phenylpyrazol-3-one.
What is the SMILES notation for 1,5-dimethyl-4-[[methyl(2-phenylethyl)amino]methyl]-2-phenylpyrazol-3-one?
The canonical SMILES for 1,5-dimethyl-4-[[methyl(2-phenylethyl)amino]methyl]-2-phenylpyrazol-3-one is Cc1c(CN(C)CCc2ccccc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1,5-dimethyl-4-[[methyl(2-phenylethyl)amino]methyl]-2-phenylpyrazol-3-one?
The InChIKey is GUZUAIAOPVUQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-17-20(16-22(2)15-14-18-10-6-4-7-11-18)21(25)24(23(17)3)19-12-8-5-9-13-19/h4-13H,14-16H2,1-3H3.
What are the key properties of 1,5-dimethyl-4-[[methyl(2-phenylethyl)amino]methyl]-2-phenylpyrazol-3-one?
1,5-dimethyl-4-[[methyl(2-phenylethyl)amino]methyl]-2-phenylpyrazol-3-one has a molecular weight of 335.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[[methyl(2-phenylethyl)amino]methyl]-2-phenylpyrazol-3-one is sourced from PubChem (CID 757978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).