2-(azetidin-3-ylidene)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide

C13H20N4O — CID 116675047

IUPAC2-(azetidin-3-ylidene)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide
SMILESCC(C(=O)NC(C)c1cnn(C)c1C)=C1CNC1
InChIInChI=1S/C13H20N4O/c1-8(11-5-14-6-11)13(18)16-9(2)12-7-15-17(4)10(12)3/h7,9,14H,5-6H2,1-4H3,(H,16,18)
InChIKeySZHHFISREVRVDW-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.83
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide

2-(azetidin-3-ylidene)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide (PubChem CID 116675047) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide
PubChem CID116675047
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-(azetidin-3-ylidene)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide
SMILESCC(C(=O)NC(C)c1cnn(C)c1C)=C1CNC1
InChIInChI=1S/C13H20N4O/c1-8(11-5-14-6-11)13(18)16-9(2)12-7-15-17(4)10(12)3/h7,9,14H,5-6H2,1-4H3,(H,16,18)
InChIKeySZHHFISREVRVDW-UHFFFAOYSA-N
XLogP0.83
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutanamide
CID 113416098
4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 43696294
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 124755441
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 119293160
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2H-triazole-4-carboxamide
CID 112733384
2-[2-(azetidin-3-ylidene)propanoylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 116678614
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119730458
2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 62855381
(2R,6R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 94122019
(1S,6S)-6-[[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 51851312
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide (CID 116675047) is 2-(azetidin-3-ylidene)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide is CC(C(=O)NC(C)c1cnn(C)c1C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide?
The InChIKey is SZHHFISREVRVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-8(11-5-14-6-11)13(18)16-9(2)12-7-15-17(4)10(12)3/h7,9,14H,5-6H2,1-4H3,(H,16,18).
What are the key properties of 2-(azetidin-3-ylidene)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide?
2-(azetidin-3-ylidene)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 248.33 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 116675047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).