N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide

C15H19N3O2 — CID 42110604

IUPACN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide
SMILESCc1cc(NC(=O)COc2ccccc2)n(C(C)C)n1
InChIInChI=1S/C15H19N3O2/c1-11(2)18-14(9-12(3)17-18)16-15(19)10-20-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,16,19)
InChIKeyPKBRNKQMPQIMRH-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.79
Rot. Bonds5

About N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide

N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide (PubChem CID 42110604) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide
PubChem CID42110604
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide
SMILESCc1cc(NC(=O)COc2ccccc2)n(C(C)C)n1
InChIInChI=1S/C15H19N3O2/c1-11(2)18-14(9-12(3)17-18)16-15(19)10-20-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,16,19)
InChIKeyPKBRNKQMPQIMRH-UHFFFAOYSA-N
XLogP2.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide?
The IUPAC name of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide (CID 42110604) is N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide is Cc1cc(NC(=O)COc2ccccc2)n(C(C)C)n1.
What is the InChIKey of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide?
The InChIKey is PKBRNKQMPQIMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(2)18-14(9-12(3)17-18)16-15(19)10-20-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,16,19).
What are the key properties of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide?
N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide has a molecular weight of 273.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-phenoxyacetamide is sourced from PubChem (CID 42110604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).