2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylacetamide

C14H15N3O2 — CID 100820037

IUPAC2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H15N3O2/c1-2-9-15-13(18)11-19-14-8-10-17(16-14)12-6-4-3-5-7-12/h2-8,10H,1,9,11H2,(H,15,18)
InChIKeyFEHZTPMRTKADQO-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.55
Rot. Bonds6

About 2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylacetamide

2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylacetamide (PubChem CID 100820037) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylacetamide
PubChem CID100820037
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H15N3O2/c1-2-9-15-13(18)11-19-14-8-10-17(16-14)12-6-4-3-5-7-12/h2-8,10H,1,9,11H2,(H,15,18)
InChIKeyFEHZTPMRTKADQO-UHFFFAOYSA-N
XLogP1.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylacetamide?
The IUPAC name of 2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylacetamide (CID 100820037) is 2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylacetamide?
The canonical SMILES for 2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccn(-c2ccccc2)n1.
What is the InChIKey of 2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylacetamide?
The InChIKey is FEHZTPMRTKADQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-9-15-13(18)11-19-14-8-10-17(16-14)12-6-4-3-5-7-12/h2-8,10H,1,9,11H2,(H,15,18).
What are the key properties of 2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylacetamide?
2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylacetamide has a molecular weight of 257.29 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylacetamide is sourced from PubChem (CID 100820037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).