5-(3-pyrazol-1-ylpropyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole

C15H14F3N5 — CID 72900759

IUPAC5-(3-pyrazol-1-ylpropyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESFC(F)(F)c1cccc(-n2ncnc2CCCn2cccn2)c1
InChIInChI=1S/C15H14F3N5/c16-15(17,18)12-4-1-5-13(10-12)23-14(19-11-21-23)6-2-8-22-9-3-7-20-22/h1,3-5,7,9-11H,2,6,8H2
InChIKeyHIEKDHIHABHZFJ-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.12
Rot. Bonds5

About 5-(3-pyrazol-1-ylpropyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole

5-(3-pyrazol-1-ylpropyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole (PubChem CID 72900759) has the molecular formula C15H14F3N5 and a molecular weight of 321.31 g/mol. Its IUPAC name is 5-(3-pyrazol-1-ylpropyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name5-(3-pyrazol-1-ylpropyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
PubChem CID72900759
Molecular FormulaC15H14F3N5
Molecular Weight321.31 g/mol
Exact Mass321.12
IUPAC Name5-(3-pyrazol-1-ylpropyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESFC(F)(F)c1cccc(-n2ncnc2CCCn2cccn2)c1
InChIInChI=1S/C15H14F3N5/c16-15(17,18)12-4-1-5-13(10-12)23-14(19-11-21-23)6-2-8-22-9-3-7-20-22/h1,3-5,7,9-11H,2,6,8H2
InChIKeyHIEKDHIHABHZFJ-UHFFFAOYSA-N
XLogP3.12
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-pyrazol-1-ylpropyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
The IUPAC name of 5-(3-pyrazol-1-ylpropyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole (CID 72900759) is 5-(3-pyrazol-1-ylpropyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole.
What is the SMILES notation for 5-(3-pyrazol-1-ylpropyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
The canonical SMILES for 5-(3-pyrazol-1-ylpropyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole is FC(F)(F)c1cccc(-n2ncnc2CCCn2cccn2)c1.
What is the InChIKey of 5-(3-pyrazol-1-ylpropyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
The InChIKey is HIEKDHIHABHZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5/c16-15(17,18)12-4-1-5-13(10-12)23-14(19-11-21-23)6-2-8-22-9-3-7-20-22/h1,3-5,7,9-11H,2,6,8H2.
What are the key properties of 5-(3-pyrazol-1-ylpropyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
5-(3-pyrazol-1-ylpropyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole has a molecular weight of 321.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyrazol-1-ylpropyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole is sourced from PubChem (CID 72900759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).