(E)-1-(4-fluorophenyl)-N-pyrazol-1-ylmethanimine

C10H8FN3 — CID 15129834

IUPAC(E)-1-(4-fluorophenyl)-N-pyrazol-1-ylmethanimine
SMILESFc1ccc(/C=N/n2cccn2)cc1
InChIInChI=1S/C10H8FN3/c11-10-4-2-9(3-5-10)8-13-14-7-1-6-12-14/h1-8H/b13-8+
InChIKeyXWDSDEAUHQQXGS-MDWZMJQESA-N
MW189.19 g/mol
LogP1.90
Rot. Bonds2

About (E)-1-(4-fluorophenyl)-N-pyrazol-1-ylmethanimine

(E)-1-(4-fluorophenyl)-N-pyrazol-1-ylmethanimine (PubChem CID 15129834) has the molecular formula C10H8FN3 and a molecular weight of 189.19 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)-N-pyrazol-1-ylmethanimine.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)-N-pyrazol-1-ylmethanimine
PubChem CID15129834
Molecular FormulaC10H8FN3
Molecular Weight189.19 g/mol
Exact Mass189.07
IUPAC Name(E)-1-(4-fluorophenyl)-N-pyrazol-1-ylmethanimine
SMILESFc1ccc(/C=N/n2cccn2)cc1
InChIInChI=1S/C10H8FN3/c11-10-4-2-9(3-5-10)8-13-14-7-1-6-12-14/h1-8H/b13-8+
InChIKeyXWDSDEAUHQQXGS-MDWZMJQESA-N
XLogP1.90
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (E)-1-(4-fluorophenyl)-N-pyrazol-1-ylmethanimine?
The IUPAC name of (E)-1-(4-fluorophenyl)-N-pyrazol-1-ylmethanimine (CID 15129834) is (E)-1-(4-fluorophenyl)-N-pyrazol-1-ylmethanimine.
What is the SMILES notation for (E)-1-(4-fluorophenyl)-N-pyrazol-1-ylmethanimine?
The canonical SMILES for (E)-1-(4-fluorophenyl)-N-pyrazol-1-ylmethanimine is Fc1ccc(/C=N/n2cccn2)cc1.
What is the InChIKey of (E)-1-(4-fluorophenyl)-N-pyrazol-1-ylmethanimine?
The InChIKey is XWDSDEAUHQQXGS-MDWZMJQESA-N. The full InChI is InChI=1S/C10H8FN3/c11-10-4-2-9(3-5-10)8-13-14-7-1-6-12-14/h1-8H/b13-8+.
What are the key properties of (E)-1-(4-fluorophenyl)-N-pyrazol-1-ylmethanimine?
(E)-1-(4-fluorophenyl)-N-pyrazol-1-ylmethanimine has a molecular weight of 189.19 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluorophenyl)-N-pyrazol-1-ylmethanimine is sourced from PubChem (CID 15129834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).