N-(1-methylpyrazol-3-yl)-2-phenoxyacetamide

C12H13N3O2 — CID 16626169

IUPACN-(1-methylpyrazol-3-yl)-2-phenoxyacetamide
SMILESCn1ccc(NC(=O)COc2ccccc2)n1
InChIInChI=1S/C12H13N3O2/c1-15-8-7-11(14-15)13-12(16)9-17-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,13,14,16)
InChIKeyVRFSWGLMUIKVRP-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.44
Rot. Bonds4

About N-(1-methylpyrazol-3-yl)-2-phenoxyacetamide

N-(1-methylpyrazol-3-yl)-2-phenoxyacetamide (PubChem CID 16626169) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2-phenoxyacetamide
PubChem CID16626169
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(1-methylpyrazol-3-yl)-2-phenoxyacetamide
SMILESCn1ccc(NC(=O)COc2ccccc2)n1
InChIInChI=1S/C12H13N3O2/c1-15-8-7-11(14-15)13-12(16)9-17-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,13,14,16)
InChIKeyVRFSWGLMUIKVRP-UHFFFAOYSA-N
XLogP1.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2-phenoxyacetamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2-phenoxyacetamide (CID 16626169) is N-(1-methylpyrazol-3-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2-phenoxyacetamide is Cn1ccc(NC(=O)COc2ccccc2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2-phenoxyacetamide?
The InChIKey is VRFSWGLMUIKVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-8-7-11(14-15)13-12(16)9-17-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,13,14,16).
What are the key properties of N-(1-methylpyrazol-3-yl)-2-phenoxyacetamide?
N-(1-methylpyrazol-3-yl)-2-phenoxyacetamide has a molecular weight of 231.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2-phenoxyacetamide is sourced from PubChem (CID 16626169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).