4-phenyl-5-(3-phenyl-1H-pyrazol-5-yl)-2H-triazole

C17H13N5 — CID 625541

IUPAC4-phenyl-5-(3-phenyl-1H-pyrazol-5-yl)-2H-triazole
SMILESc1ccc(-c2cc(-c3n[nH]nc3-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C17H13N5/c1-3-7-12(8-4-1)14-11-15(19-18-14)17-16(20-22-21-17)13-9-5-2-6-10-13/h1-11H,(H,18,19)(H,20,21,22)
InChIKeyRBAIZKVLTZPIEH-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.53
Rot. Bonds3

About 4-phenyl-5-(3-phenyl-1H-pyrazol-5-yl)-2H-triazole

4-phenyl-5-(3-phenyl-1H-pyrazol-5-yl)-2H-triazole (PubChem CID 625541) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-phenyl-5-(3-phenyl-1H-pyrazol-5-yl)-2H-triazole.

Molecular Properties

Compound Name4-phenyl-5-(3-phenyl-1H-pyrazol-5-yl)-2H-triazole
PubChem CID625541
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC Name4-phenyl-5-(3-phenyl-1H-pyrazol-5-yl)-2H-triazole
SMILESc1ccc(-c2cc(-c3n[nH]nc3-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C17H13N5/c1-3-7-12(8-4-1)14-11-15(19-18-14)17-16(20-22-21-17)13-9-5-2-6-10-13/h1-11H,(H,18,19)(H,20,21,22)
InChIKeyRBAIZKVLTZPIEH-UHFFFAOYSA-N
XLogP3.53
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(3-phenyl-1H-pyrazol-5-yl)-2H-triazole?
The IUPAC name of 4-phenyl-5-(3-phenyl-1H-pyrazol-5-yl)-2H-triazole (CID 625541) is 4-phenyl-5-(3-phenyl-1H-pyrazol-5-yl)-2H-triazole.
What is the SMILES notation for 4-phenyl-5-(3-phenyl-1H-pyrazol-5-yl)-2H-triazole?
The canonical SMILES for 4-phenyl-5-(3-phenyl-1H-pyrazol-5-yl)-2H-triazole is c1ccc(-c2cc(-c3n[nH]nc3-c3ccccc3)[nH]n2)cc1.
What is the InChIKey of 4-phenyl-5-(3-phenyl-1H-pyrazol-5-yl)-2H-triazole?
The InChIKey is RBAIZKVLTZPIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c1-3-7-12(8-4-1)14-11-15(19-18-14)17-16(20-22-21-17)13-9-5-2-6-10-13/h1-11H,(H,18,19)(H,20,21,22).
What are the key properties of 4-phenyl-5-(3-phenyl-1H-pyrazol-5-yl)-2H-triazole?
4-phenyl-5-(3-phenyl-1H-pyrazol-5-yl)-2H-triazole has a molecular weight of 287.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(3-phenyl-1H-pyrazol-5-yl)-2H-triazole is sourced from PubChem (CID 625541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).