(E)-2-[5-[(E)-2-fluoroethenyl]-1H-pyrazol-4-yl]ethenamine

C7H8FN3 — CID 162488863

IUPAC(E)-2-[5-[(E)-2-fluoroethenyl]-1H-pyrazol-4-yl]ethenamine
SMILESN/C=C/c1cn[nH]c1/C=C/F
InChIInChI=1S/C7H8FN3/c8-3-1-7-6(2-4-9)5-10-11-7/h1-5H,9H2,(H,10,11)/b3-1+,4-2+
InChIKeyCWGBJBSMZWZHOM-ZPUQHVIOSA-N
MW153.16 g/mol
LogP1.28
Rot. Bonds2

About (E)-2-[5-[(E)-2-fluoroethenyl]-1H-pyrazol-4-yl]ethenamine

(E)-2-[5-[(E)-2-fluoroethenyl]-1H-pyrazol-4-yl]ethenamine (PubChem CID 162488863) has the molecular formula C7H8FN3 and a molecular weight of 153.16 g/mol. Its IUPAC name is (E)-2-[5-[(E)-2-fluoroethenyl]-1H-pyrazol-4-yl]ethenamine.

Molecular Properties

Compound Name(E)-2-[5-[(E)-2-fluoroethenyl]-1H-pyrazol-4-yl]ethenamine
PubChem CID162488863
Molecular FormulaC7H8FN3
Molecular Weight153.16 g/mol
Exact Mass153.07
IUPAC Name(E)-2-[5-[(E)-2-fluoroethenyl]-1H-pyrazol-4-yl]ethenamine
SMILESN/C=C/c1cn[nH]c1/C=C/F
InChIInChI=1S/C7H8FN3/c8-3-1-7-6(2-4-9)5-10-11-7/h1-5H,9H2,(H,10,11)/b3-1+,4-2+
InChIKeyCWGBJBSMZWZHOM-ZPUQHVIOSA-N
XLogP1.28
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[5-[(E)-2-fluoroethenyl]-1H-pyrazol-4-yl]ethenamine?
The IUPAC name of (E)-2-[5-[(E)-2-fluoroethenyl]-1H-pyrazol-4-yl]ethenamine (CID 162488863) is (E)-2-[5-[(E)-2-fluoroethenyl]-1H-pyrazol-4-yl]ethenamine.
What is the SMILES notation for (E)-2-[5-[(E)-2-fluoroethenyl]-1H-pyrazol-4-yl]ethenamine?
The canonical SMILES for (E)-2-[5-[(E)-2-fluoroethenyl]-1H-pyrazol-4-yl]ethenamine is N/C=C/c1cn[nH]c1/C=C/F.
What is the InChIKey of (E)-2-[5-[(E)-2-fluoroethenyl]-1H-pyrazol-4-yl]ethenamine?
The InChIKey is CWGBJBSMZWZHOM-ZPUQHVIOSA-N. The full InChI is InChI=1S/C7H8FN3/c8-3-1-7-6(2-4-9)5-10-11-7/h1-5H,9H2,(H,10,11)/b3-1+,4-2+.
What are the key properties of (E)-2-[5-[(E)-2-fluoroethenyl]-1H-pyrazol-4-yl]ethenamine?
(E)-2-[5-[(E)-2-fluoroethenyl]-1H-pyrazol-4-yl]ethenamine has a molecular weight of 153.16 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[5-[(E)-2-fluoroethenyl]-1H-pyrazol-4-yl]ethenamine is sourced from PubChem (CID 162488863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).