2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxy-2-phenylbutanamide

C21H23N3O2 — CID 151612404

IUPAC2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxy-2-phenylbutanamide
SMILESCCC(C)(C(=O)NOc1cc(C)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-4-21(3,17-11-7-5-8-12-17)20(25)23-26-19-15-16(2)22-24(19)18-13-9-6-10-14-18/h5-15H,4H2,1-3H3,(H,23,25)
InChIKeyQMTZENQZWIJSGL-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.96
Rot. Bonds6

About 2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxy-2-phenylbutanamide

2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxy-2-phenylbutanamide (PubChem CID 151612404) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxy-2-phenylbutanamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxy-2-phenylbutanamide
PubChem CID151612404
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxy-2-phenylbutanamide
SMILESCCC(C)(C(=O)NOc1cc(C)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-4-21(3,17-11-7-5-8-12-17)20(25)23-26-19-15-16(2)22-24(19)18-13-9-6-10-14-18/h5-15H,4H2,1-3H3,(H,23,25)
InChIKeyQMTZENQZWIJSGL-UHFFFAOYSA-N
XLogP3.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxy-2-phenylbutanamide?
The IUPAC name of 2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxy-2-phenylbutanamide (CID 151612404) is 2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxy-2-phenylbutanamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxy-2-phenylbutanamide?
The canonical SMILES for 2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxy-2-phenylbutanamide is CCC(C)(C(=O)NOc1cc(C)nn1-c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxy-2-phenylbutanamide?
The InChIKey is QMTZENQZWIJSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-21(3,17-11-7-5-8-12-17)20(25)23-26-19-15-16(2)22-24(19)18-13-9-6-10-14-18/h5-15H,4H2,1-3H3,(H,23,25).
What are the key properties of 2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxy-2-phenylbutanamide?
2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxy-2-phenylbutanamide has a molecular weight of 349.43 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxy-2-phenylbutanamide is sourced from PubChem (CID 151612404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).