2-(2-chlorophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide

C14H16ClN3O2 — CID 5299738

IUPAC2-(2-chlorophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide
SMILESCC(C)n1cc(NC(=O)COc2ccccc2Cl)cn1
InChIInChI=1S/C14H16ClN3O2/c1-10(2)18-8-11(7-16-18)17-14(19)9-20-13-6-4-3-5-12(13)15/h3-8,10H,9H2,1-2H3,(H,17,19)
InChIKeyDZGRSLIAXLQDMV-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.13
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide

2-(2-chlorophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide (PubChem CID 5299738) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide
PubChem CID5299738
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-(2-chlorophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide
SMILESCC(C)n1cc(NC(=O)COc2ccccc2Cl)cn1
InChIInChI=1S/C14H16ClN3O2/c1-10(2)18-8-11(7-16-18)17-14(19)9-20-13-6-4-3-5-12(13)15/h3-8,10H,9H2,1-2H3,(H,17,19)
InChIKeyDZGRSLIAXLQDMV-UHFFFAOYSA-N
XLogP3.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide (CID 5299738) is 2-(2-chlorophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide is CC(C)n1cc(NC(=O)COc2ccccc2Cl)cn1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
The InChIKey is DZGRSLIAXLQDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-10(2)18-8-11(7-16-18)17-14(19)9-20-13-6-4-3-5-12(13)15/h3-8,10H,9H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-chlorophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
2-(2-chlorophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide has a molecular weight of 293.75 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide is sourced from PubChem (CID 5299738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).