2-(4-phenylpyrazol-1-yl)-N-prop-2-enylacetamide

C14H15N3O — CID 99133443

IUPAC2-(4-phenylpyrazol-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H15N3O/c1-2-8-15-14(18)11-17-10-13(9-16-17)12-6-4-3-5-7-12/h2-7,9-10H,1,8,11H2,(H,15,18)
InChIKeySDOGAJPESWQYFZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.85
Rot. Bonds5

About 2-(4-phenylpyrazol-1-yl)-N-prop-2-enylacetamide

2-(4-phenylpyrazol-1-yl)-N-prop-2-enylacetamide (PubChem CID 99133443) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(4-phenylpyrazol-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(4-phenylpyrazol-1-yl)-N-prop-2-enylacetamide
PubChem CID99133443
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(4-phenylpyrazol-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H15N3O/c1-2-8-15-14(18)11-17-10-13(9-16-17)12-6-4-3-5-7-12/h2-7,9-10H,1,8,11H2,(H,15,18)
InChIKeySDOGAJPESWQYFZ-UHFFFAOYSA-N
XLogP1.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-phenylpyrazol-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(4-phenylpyrazol-1-yl)-N-prop-2-enylacetamide (CID 99133443) is 2-(4-phenylpyrazol-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(4-phenylpyrazol-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(4-phenylpyrazol-1-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cn1cc(-c2ccccc2)cn1.
What is the InChIKey of 2-(4-phenylpyrazol-1-yl)-N-prop-2-enylacetamide?
The InChIKey is SDOGAJPESWQYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-8-15-14(18)11-17-10-13(9-16-17)12-6-4-3-5-7-12/h2-7,9-10H,1,8,11H2,(H,15,18).
What are the key properties of 2-(4-phenylpyrazol-1-yl)-N-prop-2-enylacetamide?
2-(4-phenylpyrazol-1-yl)-N-prop-2-enylacetamide has a molecular weight of 241.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpyrazol-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 99133443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).