N-(5-methyl-2-phenylpyrazol-3-yl)-2-phenoxyacetamide

C18H17N3O2 — CID 2310735

IUPACN-(5-methyl-2-phenylpyrazol-3-yl)-2-phenoxyacetamide
SMILESCc1cc(NC(=O)COc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C18H17N3O2/c1-14-12-17(21(20-14)15-8-4-2-5-9-15)19-18(22)13-23-16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,19,22)
InChIKeyLUOCXXDTDABFKK-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.20
Rot. Bonds5

About N-(5-methyl-2-phenylpyrazol-3-yl)-2-phenoxyacetamide

N-(5-methyl-2-phenylpyrazol-3-yl)-2-phenoxyacetamide (PubChem CID 2310735) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(5-methyl-2-phenylpyrazol-3-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5-methyl-2-phenylpyrazol-3-yl)-2-phenoxyacetamide
PubChem CID2310735
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(5-methyl-2-phenylpyrazol-3-yl)-2-phenoxyacetamide
SMILESCc1cc(NC(=O)COc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C18H17N3O2/c1-14-12-17(21(20-14)15-8-4-2-5-9-15)19-18(22)13-23-16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,19,22)
InChIKeyLUOCXXDTDABFKK-UHFFFAOYSA-N
XLogP3.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.20
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-phenylpyrazol-3-yl)-2-phenoxyacetamide?
The IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)-2-phenoxyacetamide (CID 2310735) is N-(5-methyl-2-phenylpyrazol-3-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(5-methyl-2-phenylpyrazol-3-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(5-methyl-2-phenylpyrazol-3-yl)-2-phenoxyacetamide is Cc1cc(NC(=O)COc2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-(5-methyl-2-phenylpyrazol-3-yl)-2-phenoxyacetamide?
The InChIKey is LUOCXXDTDABFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-14-12-17(21(20-14)15-8-4-2-5-9-15)19-18(22)13-23-16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,19,22).
What are the key properties of N-(5-methyl-2-phenylpyrazol-3-yl)-2-phenoxyacetamide?
N-(5-methyl-2-phenylpyrazol-3-yl)-2-phenoxyacetamide has a molecular weight of 307.35 g/mol, XLogP of 3.20, 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-phenylpyrazol-3-yl)-2-phenoxyacetamide is sourced from PubChem (CID 2310735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).