5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)tetrazole

C17H13FN6 — CID 737147

IUPAC5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2-c2cn[nH]c2-c2cccc(F)c2)cc1
InChIInChI=1S/C17H13FN6/c1-11-5-7-14(8-6-11)24-17(21-22-23-24)15-10-19-20-16(15)12-3-2-4-13(18)9-12/h2-10H,1H3,(H,19,20)
InChIKeyDWMZNJUQCOXNNI-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.17
Rot. Bonds3

About 5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)tetrazole

5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)tetrazole (PubChem CID 737147) has the molecular formula C17H13FN6 and a molecular weight of 320.33 g/mol. Its IUPAC name is 5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)tetrazole
PubChem CID737147
Molecular FormulaC17H13FN6
Molecular Weight320.33 g/mol
Exact Mass320.12
IUPAC Name5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2-c2cn[nH]c2-c2cccc(F)c2)cc1
InChIInChI=1S/C17H13FN6/c1-11-5-7-14(8-6-11)24-17(21-22-23-24)15-10-19-20-16(15)12-3-2-4-13(18)9-12/h2-10H,1H3,(H,19,20)
InChIKeyDWMZNJUQCOXNNI-UHFFFAOYSA-N
XLogP3.17
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)tetrazole?
The IUPAC name of 5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)tetrazole (CID 737147) is 5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)tetrazole.
What is the SMILES notation for 5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)tetrazole?
The canonical SMILES for 5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)tetrazole is Cc1ccc(-n2nnnc2-c2cn[nH]c2-c2cccc(F)c2)cc1.
What is the InChIKey of 5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)tetrazole?
The InChIKey is DWMZNJUQCOXNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6/c1-11-5-7-14(8-6-11)24-17(21-22-23-24)15-10-19-20-16(15)12-3-2-4-13(18)9-12/h2-10H,1H3,(H,19,20).
What are the key properties of 5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)tetrazole?
5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)tetrazole has a molecular weight of 320.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)tetrazole is sourced from PubChem (CID 737147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).