N-[1-[1-(azetidin-3-yl)pyrazol-4-yl]ethenyl]propanimidoyl chloride

C11H15ClN4 — CID 170117829

IUPACN-[1-[1-(azetidin-3-yl)pyrazol-4-yl]ethenyl]propanimidoyl chloride
SMILESC=C(/N=C(\Cl)CC)c1cnn(C2CNC2)c1
InChIInChI=1S/C11H15ClN4/c1-3-11(12)15-8(2)9-4-14-16(7-9)10-5-13-6-10/h4,7,10,13H,2-3,5-6H2,1H3/b15-11-
InChIKeyHMUVAFXLDUQBRZ-PTNGSMBKSA-N
MW238.72 g/mol
LogP2.05
Rot. Bonds4

About N-[1-[1-(azetidin-3-yl)pyrazol-4-yl]ethenyl]propanimidoyl chloride

N-[1-[1-(azetidin-3-yl)pyrazol-4-yl]ethenyl]propanimidoyl chloride (PubChem CID 170117829) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is N-[1-[1-(azetidin-3-yl)pyrazol-4-yl]ethenyl]propanimidoyl chloride.

Molecular Properties

Compound NameN-[1-[1-(azetidin-3-yl)pyrazol-4-yl]ethenyl]propanimidoyl chloride
PubChem CID170117829
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC NameN-[1-[1-(azetidin-3-yl)pyrazol-4-yl]ethenyl]propanimidoyl chloride
SMILESC=C(/N=C(\Cl)CC)c1cnn(C2CNC2)c1
InChIInChI=1S/C11H15ClN4/c1-3-11(12)15-8(2)9-4-14-16(7-9)10-5-13-6-10/h4,7,10,13H,2-3,5-6H2,1H3/b15-11-
InChIKeyHMUVAFXLDUQBRZ-PTNGSMBKSA-N
XLogP2.05
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(azetidin-3-yl)pyrazol-4-yl]ethenyl]propanimidoyl chloride?
The IUPAC name of N-[1-[1-(azetidin-3-yl)pyrazol-4-yl]ethenyl]propanimidoyl chloride (CID 170117829) is N-[1-[1-(azetidin-3-yl)pyrazol-4-yl]ethenyl]propanimidoyl chloride.
What is the SMILES notation for N-[1-[1-(azetidin-3-yl)pyrazol-4-yl]ethenyl]propanimidoyl chloride?
The canonical SMILES for N-[1-[1-(azetidin-3-yl)pyrazol-4-yl]ethenyl]propanimidoyl chloride is C=C(/N=C(\Cl)CC)c1cnn(C2CNC2)c1.
What is the InChIKey of N-[1-[1-(azetidin-3-yl)pyrazol-4-yl]ethenyl]propanimidoyl chloride?
The InChIKey is HMUVAFXLDUQBRZ-PTNGSMBKSA-N. The full InChI is InChI=1S/C11H15ClN4/c1-3-11(12)15-8(2)9-4-14-16(7-9)10-5-13-6-10/h4,7,10,13H,2-3,5-6H2,1H3/b15-11-.
What are the key properties of N-[1-[1-(azetidin-3-yl)pyrazol-4-yl]ethenyl]propanimidoyl chloride?
N-[1-[1-(azetidin-3-yl)pyrazol-4-yl]ethenyl]propanimidoyl chloride has a molecular weight of 238.72 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(azetidin-3-yl)pyrazol-4-yl]ethenyl]propanimidoyl chloride is sourced from PubChem (CID 170117829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).