1-[(E)-3-(4-fluorophenyl)-1-pyrazol-1-ylprop-2-enyl]pyrazole

C15H13FN4 — CID 73057889

IUPAC1-[(E)-3-(4-fluorophenyl)-1-pyrazol-1-ylprop-2-enyl]pyrazole
SMILESFc1ccc(/C=C/C(n2cccn2)n2cccn2)cc1
InChIInChI=1S/C15H13FN4/c16-14-6-3-13(4-7-14)5-8-15(19-11-1-9-17-19)20-12-2-10-18-20/h1-12,15H/b8-5+
InChIKeyXWHBSVSCBAZCJD-VMPITWQZSA-N
MW268.30 g/mol
LogP2.98
Rot. Bonds4

About 1-[(E)-3-(4-fluorophenyl)-1-pyrazol-1-ylprop-2-enyl]pyrazole

1-[(E)-3-(4-fluorophenyl)-1-pyrazol-1-ylprop-2-enyl]pyrazole (PubChem CID 73057889) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-[(E)-3-(4-fluorophenyl)-1-pyrazol-1-ylprop-2-enyl]pyrazole.

Molecular Properties

Compound Name1-[(E)-3-(4-fluorophenyl)-1-pyrazol-1-ylprop-2-enyl]pyrazole
PubChem CID73057889
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name1-[(E)-3-(4-fluorophenyl)-1-pyrazol-1-ylprop-2-enyl]pyrazole
SMILESFc1ccc(/C=C/C(n2cccn2)n2cccn2)cc1
InChIInChI=1S/C15H13FN4/c16-14-6-3-13(4-7-14)5-8-15(19-11-1-9-17-19)20-12-2-10-18-20/h1-12,15H/b8-5+
InChIKeyXWHBSVSCBAZCJD-VMPITWQZSA-N
XLogP2.98
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-fluorophenyl)-1-pyrazol-1-ylprop-2-enyl]pyrazole?
The IUPAC name of 1-[(E)-3-(4-fluorophenyl)-1-pyrazol-1-ylprop-2-enyl]pyrazole (CID 73057889) is 1-[(E)-3-(4-fluorophenyl)-1-pyrazol-1-ylprop-2-enyl]pyrazole.
What is the SMILES notation for 1-[(E)-3-(4-fluorophenyl)-1-pyrazol-1-ylprop-2-enyl]pyrazole?
The canonical SMILES for 1-[(E)-3-(4-fluorophenyl)-1-pyrazol-1-ylprop-2-enyl]pyrazole is Fc1ccc(/C=C/C(n2cccn2)n2cccn2)cc1.
What is the InChIKey of 1-[(E)-3-(4-fluorophenyl)-1-pyrazol-1-ylprop-2-enyl]pyrazole?
The InChIKey is XWHBSVSCBAZCJD-VMPITWQZSA-N. The full InChI is InChI=1S/C15H13FN4/c16-14-6-3-13(4-7-14)5-8-15(19-11-1-9-17-19)20-12-2-10-18-20/h1-12,15H/b8-5+.
What are the key properties of 1-[(E)-3-(4-fluorophenyl)-1-pyrazol-1-ylprop-2-enyl]pyrazole?
1-[(E)-3-(4-fluorophenyl)-1-pyrazol-1-ylprop-2-enyl]pyrazole has a molecular weight of 268.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-fluorophenyl)-1-pyrazol-1-ylprop-2-enyl]pyrazole is sourced from PubChem (CID 73057889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).