2-fluoro-N-[1-(1H-pyrazol-5-yl)ethenyl]prop-2-en-1-imine

C8H8FN3 — CID 170977938

IUPAC2-fluoro-N-[1-(1H-pyrazol-5-yl)ethenyl]prop-2-en-1-imine
SMILESC=C(F)/C=N/C(=C)c1ccn[nH]1
InChIInChI=1S/C8H8FN3/c1-6(9)5-10-7(2)8-3-4-11-12-8/h3-5H,1-2H2,(H,11,12)/b10-5+
InChIKeyFGEAOXZFYAMGTR-BJMVGYQFSA-N
MW165.17 g/mol
LogP1.93
Rot. Bonds3

About 2-fluoro-N-[1-(1H-pyrazol-5-yl)ethenyl]prop-2-en-1-imine

2-fluoro-N-[1-(1H-pyrazol-5-yl)ethenyl]prop-2-en-1-imine (PubChem CID 170977938) has the molecular formula C8H8FN3 and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-fluoro-N-[1-(1H-pyrazol-5-yl)ethenyl]prop-2-en-1-imine.

Molecular Properties

Compound Name2-fluoro-N-[1-(1H-pyrazol-5-yl)ethenyl]prop-2-en-1-imine
PubChem CID170977938
Molecular FormulaC8H8FN3
Molecular Weight165.17 g/mol
Exact Mass165.07
IUPAC Name2-fluoro-N-[1-(1H-pyrazol-5-yl)ethenyl]prop-2-en-1-imine
SMILESC=C(F)/C=N/C(=C)c1ccn[nH]1
InChIInChI=1S/C8H8FN3/c1-6(9)5-10-7(2)8-3-4-11-12-8/h3-5H,1-2H2,(H,11,12)/b10-5+
InChIKeyFGEAOXZFYAMGTR-BJMVGYQFSA-N
XLogP1.93
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-fluoro-N-[1-(1H-pyrazol-5-yl)ethenyl]prop-2-en-1-imine?
The IUPAC name of 2-fluoro-N-[1-(1H-pyrazol-5-yl)ethenyl]prop-2-en-1-imine (CID 170977938) is 2-fluoro-N-[1-(1H-pyrazol-5-yl)ethenyl]prop-2-en-1-imine.
What is the SMILES notation for 2-fluoro-N-[1-(1H-pyrazol-5-yl)ethenyl]prop-2-en-1-imine?
The canonical SMILES for 2-fluoro-N-[1-(1H-pyrazol-5-yl)ethenyl]prop-2-en-1-imine is C=C(F)/C=N/C(=C)c1ccn[nH]1.
What is the InChIKey of 2-fluoro-N-[1-(1H-pyrazol-5-yl)ethenyl]prop-2-en-1-imine?
The InChIKey is FGEAOXZFYAMGTR-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H8FN3/c1-6(9)5-10-7(2)8-3-4-11-12-8/h3-5H,1-2H2,(H,11,12)/b10-5+.
What are the key properties of 2-fluoro-N-[1-(1H-pyrazol-5-yl)ethenyl]prop-2-en-1-imine?
2-fluoro-N-[1-(1H-pyrazol-5-yl)ethenyl]prop-2-en-1-imine has a molecular weight of 165.17 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(1H-pyrazol-5-yl)ethenyl]prop-2-en-1-imine is sourced from PubChem (CID 170977938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).