2-(azetidin-3-ylidene)-N-[2-(azetidin-3-yl)pyrazol-3-yl]propanamide

C12H17N5O — CID 165484838

IUPAC2-(azetidin-3-ylidene)-N-[2-(azetidin-3-yl)pyrazol-3-yl]propanamide
SMILESCC(C(=O)Nc1ccnn1C1CNC1)=C1CNC1
InChIInChI=1S/C12H17N5O/c1-8(9-4-13-5-9)12(18)16-11-2-3-15-17(11)10-6-14-7-10/h2-3,10,13-14H,4-7H2,1H3,(H,16,18)
InChIKeyWFWISOONKZTTHP-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.11
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-[2-(azetidin-3-yl)pyrazol-3-yl]propanamide

2-(azetidin-3-ylidene)-N-[2-(azetidin-3-yl)pyrazol-3-yl]propanamide (PubChem CID 165484838) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[2-(azetidin-3-yl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[2-(azetidin-3-yl)pyrazol-3-yl]propanamide
PubChem CID165484838
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-(azetidin-3-ylidene)-N-[2-(azetidin-3-yl)pyrazol-3-yl]propanamide
SMILESCC(C(=O)Nc1ccnn1C1CNC1)=C1CNC1
InChIInChI=1S/C12H17N5O/c1-8(9-4-13-5-9)12(18)16-11-2-3-15-17(11)10-6-14-7-10/h2-3,10,13-14H,4-7H2,1H3,(H,16,18)
InChIKeyWFWISOONKZTTHP-UHFFFAOYSA-N
XLogP-0.11
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide
CID 165474686
N-[2-(azetidin-3-yl)pyrazol-3-yl]-1-(methylamino)cyclopropane-1-carboxamide
CID 165483514
N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide
CID 165484845
(3R)-N-[2-(azetidin-3-yl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 165482654
N-[2-(azetidin-3-yl)pyrazol-3-yl]piperazine-2-carboxamide
CID 165474818
3-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide
CID 165484929
2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide
CID 165484923
N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-carbamothioylbutanamide
CID 165474032
2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutanamide
CID 165482729
(2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide
CID 165484852
2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]pent-4-enamide
CID 165474812
1-[2-(azetidin-3-yl)pyrazol-3-yl]-3-(1-methoxypropan-2-yl)thiourea
CID 165474040

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(azetidin-3-yl)pyrazol-3-yl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(azetidin-3-yl)pyrazol-3-yl]propanamide (CID 165484838) is 2-(azetidin-3-ylidene)-N-[2-(azetidin-3-yl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[2-(azetidin-3-yl)pyrazol-3-yl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[2-(azetidin-3-yl)pyrazol-3-yl]propanamide is CC(C(=O)Nc1ccnn1C1CNC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[2-(azetidin-3-yl)pyrazol-3-yl]propanamide?
The InChIKey is WFWISOONKZTTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8(9-4-13-5-9)12(18)16-11-2-3-15-17(11)10-6-14-7-10/h2-3,10,13-14H,4-7H2,1H3,(H,16,18).
What are the key properties of 2-(azetidin-3-ylidene)-N-[2-(azetidin-3-yl)pyrazol-3-yl]propanamide?
2-(azetidin-3-ylidene)-N-[2-(azetidin-3-yl)pyrazol-3-yl]propanamide has a molecular weight of 247.30 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[2-(azetidin-3-yl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 165484838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).