1-(4-ethylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole

C18H16N6 — CID 2801847

IUPAC1-(4-ethylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole
SMILESCCc1ccc(-n2nnnc2-c2cn[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C18H16N6/c1-2-13-8-10-15(11-9-13)24-18(21-22-23-24)16-12-19-20-17(16)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,19,20)
InChIKeyKEKHECJAJOKIAD-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.28
Rot. Bonds4

About 1-(4-ethylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole

1-(4-ethylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole (PubChem CID 2801847) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole.

Molecular Properties

Compound Name1-(4-ethylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole
PubChem CID2801847
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name1-(4-ethylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole
SMILESCCc1ccc(-n2nnnc2-c2cn[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C18H16N6/c1-2-13-8-10-15(11-9-13)24-18(21-22-23-24)16-12-19-20-17(16)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,19,20)
InChIKeyKEKHECJAJOKIAD-UHFFFAOYSA-N
XLogP3.28
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole?
The IUPAC name of 1-(4-ethylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole (CID 2801847) is 1-(4-ethylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole.
What is the SMILES notation for 1-(4-ethylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole?
The canonical SMILES for 1-(4-ethylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole is CCc1ccc(-n2nnnc2-c2cn[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole?
The InChIKey is KEKHECJAJOKIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-2-13-8-10-15(11-9-13)24-18(21-22-23-24)16-12-19-20-17(16)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,19,20).
What are the key properties of 1-(4-ethylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole?
1-(4-ethylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole has a molecular weight of 316.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole is sourced from PubChem (CID 2801847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).