2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide

C17H26N4O — CID 95141116

IUPAC2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CC[C@H](n2nc(C)cc2C)C1
InChIInChI=1S/C17H26N4O/c1-5-8-20(9-6-2)17(22)13-19-10-7-16(12-19)21-15(4)11-14(3)18-21/h5-6,11,16H,1-2,7-10,12-13H2,3-4H3/t16-/m0/s1
InChIKeyNLFIUVRFHWHWBP-INIZCTEOSA-N
MW302.42 g/mol
LogP1.95
Rot. Bonds7

About 2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide

2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 95141116) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID95141116
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CC[C@H](n2nc(C)cc2C)C1
InChIInChI=1S/C17H26N4O/c1-5-8-20(9-6-2)17(22)13-19-10-7-16(12-19)21-15(4)11-14(3)18-21/h5-6,11,16H,1-2,7-10,12-13H2,3-4H3/t16-/m0/s1
InChIKeyNLFIUVRFHWHWBP-INIZCTEOSA-N
XLogP1.95
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.95
H-Bond Donors ≤ 50
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-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide (CID 95141116) is 2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN1CC[C@H](n2nc(C)cc2C)C1.
What is the InChIKey of 2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is NLFIUVRFHWHWBP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N4O/c1-5-8-20(9-6-2)17(22)13-19-10-7-16(12-19)21-15(4)11-14(3)18-21/h5-6,11,16H,1-2,7-10,12-13H2,3-4H3/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 302.42 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 95141116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).