5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1H-1,2,4-triazole

C17H13N5 — CID 129041984

IUPAC5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1H-1,2,4-triazole
SMILESc1cnn(-c2ccc(-c3ccc(-c4ncn[nH]4)cc3)cc2)c1
InChIInChI=1S/C17H13N5/c1-10-20-22(11-1)16-8-6-14(7-9-16)13-2-4-15(5-3-13)17-18-12-19-21-17/h1-12H,(H,18,19,21)
InChIKeyICAITWWHTRTSFH-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.32
Rot. Bonds3

About 5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1H-1,2,4-triazole

5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1H-1,2,4-triazole (PubChem CID 129041984) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is 5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1H-1,2,4-triazole
PubChem CID129041984
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC Name5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1H-1,2,4-triazole
SMILESc1cnn(-c2ccc(-c3ccc(-c4ncn[nH]4)cc3)cc2)c1
InChIInChI=1S/C17H13N5/c1-10-20-22(11-1)16-8-6-14(7-9-16)13-2-4-15(5-3-13)17-18-12-19-21-17/h1-12H,(H,18,19,21)
InChIKeyICAITWWHTRTSFH-UHFFFAOYSA-N
XLogP3.32
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1H-1,2,4-triazole (CID 129041984) is 5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1H-1,2,4-triazole is c1cnn(-c2ccc(-c3ccc(-c4ncn[nH]4)cc3)cc2)c1.
What is the InChIKey of 5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1H-1,2,4-triazole?
The InChIKey is ICAITWWHTRTSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c1-10-20-22(11-1)16-8-6-14(7-9-16)13-2-4-15(5-3-13)17-18-12-19-21-17/h1-12H,(H,18,19,21).
What are the key properties of 5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1H-1,2,4-triazole?
5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1H-1,2,4-triazole has a molecular weight of 287.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1H-1,2,4-triazole is sourced from PubChem (CID 129041984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).