5-methyl-2-phenyl-4-(2-phenylethyliminomethyl)-1H-pyrazol-3-one

C19H19N3O — CID 2927970

IUPAC5-methyl-2-phenyl-4-(2-phenylethyliminomethyl)-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/C=N/CCc1ccccc1
InChIInChI=1S/C19H19N3O/c1-15-18(14-20-13-12-16-8-4-2-5-9-16)19(23)22(21-15)17-10-6-3-7-11-17/h2-11,14,21H,12-13H2,1H3/b20-14+
InChIKeyUUSHVHZSHPDPSW-XSFVSMFZSA-N
MW305.38 g/mol
LogP3.14
Rot. Bonds5

About 5-methyl-2-phenyl-4-(2-phenylethyliminomethyl)-1H-pyrazol-3-one

5-methyl-2-phenyl-4-(2-phenylethyliminomethyl)-1H-pyrazol-3-one (PubChem CID 2927970) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4-(2-phenylethyliminomethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-4-(2-phenylethyliminomethyl)-1H-pyrazol-3-one
PubChem CID2927970
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name5-methyl-2-phenyl-4-(2-phenylethyliminomethyl)-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/C=N/CCc1ccccc1
InChIInChI=1S/C19H19N3O/c1-15-18(14-20-13-12-16-8-4-2-5-9-16)19(23)22(21-15)17-10-6-3-7-11-17/h2-11,14,21H,12-13H2,1H3/b20-14+
InChIKeyUUSHVHZSHPDPSW-XSFVSMFZSA-N
XLogP3.14
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4-(2-phenylethyliminomethyl)-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-phenyl-4-(2-phenylethyliminomethyl)-1H-pyrazol-3-one (CID 2927970) is 5-methyl-2-phenyl-4-(2-phenylethyliminomethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-phenyl-4-(2-phenylethyliminomethyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-phenyl-4-(2-phenylethyliminomethyl)-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/CCc1ccccc1.
What is the InChIKey of 5-methyl-2-phenyl-4-(2-phenylethyliminomethyl)-1H-pyrazol-3-one?
The InChIKey is UUSHVHZSHPDPSW-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H19N3O/c1-15-18(14-20-13-12-16-8-4-2-5-9-16)19(23)22(21-15)17-10-6-3-7-11-17/h2-11,14,21H,12-13H2,1H3/b20-14+.
What are the key properties of 5-methyl-2-phenyl-4-(2-phenylethyliminomethyl)-1H-pyrazol-3-one?
5-methyl-2-phenyl-4-(2-phenylethyliminomethyl)-1H-pyrazol-3-one has a molecular weight of 305.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4-(2-phenylethyliminomethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 2927970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).