2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-prop-2-enylpropanamide

C16H26N4O2 — CID 71872755

IUPAC2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCC1CCOC1c1cnn(CC)c1
InChIInChI=1S/C16H26N4O2/c1-4-7-17-16(21)12(3)18-9-13-6-8-22-15(13)14-10-19-20(5-2)11-14/h4,10-13,15,18H,1,5-9H2,2-3H3,(H,17,21)
InChIKeyWQTVQOGSBHACCN-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.26
Rot. Bonds8

About 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-prop-2-enylpropanamide

2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-prop-2-enylpropanamide (PubChem CID 71872755) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-prop-2-enylpropanamide
PubChem CID71872755
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCC1CCOC1c1cnn(CC)c1
InChIInChI=1S/C16H26N4O2/c1-4-7-17-16(21)12(3)18-9-13-6-8-22-15(13)14-10-19-20(5-2)11-14/h4,10-13,15,18H,1,5-9H2,2-3H3,(H,17,21)
InChIKeyWQTVQOGSBHACCN-UHFFFAOYSA-N
XLogP1.26
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-prop-2-enylpropanamide (CID 71872755) is 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NCC1CCOC1c1cnn(CC)c1.
What is the InChIKey of 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-prop-2-enylpropanamide?
The InChIKey is WQTVQOGSBHACCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-7-17-16(21)12(3)18-9-13-6-8-22-15(13)14-10-19-20(5-2)11-14/h4,10-13,15,18H,1,5-9H2,2-3H3,(H,17,21).
What are the key properties of 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-prop-2-enylpropanamide?
2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-prop-2-enylpropanamide has a molecular weight of 306.41 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 71872755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).