1-(4-methylphenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole

C18H16N6 — CID 2825886

IUPAC1-(4-methylphenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole
SMILESCc1ccc(-n2nnnc2-c2cnn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C18H16N6/c1-13-8-10-16(11-9-13)24-18(20-21-22-24)17-12-19-23(14(17)2)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyDDAFGCDPVBHUSV-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.13
Rot. Bonds3

About 1-(4-methylphenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole

1-(4-methylphenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole (PubChem CID 2825886) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole
PubChem CID2825886
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name1-(4-methylphenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole
SMILESCc1ccc(-n2nnnc2-c2cnn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C18H16N6/c1-13-8-10-16(11-9-13)24-18(20-21-22-24)17-12-19-23(14(17)2)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyDDAFGCDPVBHUSV-UHFFFAOYSA-N
XLogP3.13
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole?
The IUPAC name of 1-(4-methylphenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole (CID 2825886) is 1-(4-methylphenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole.
What is the SMILES notation for 1-(4-methylphenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole?
The canonical SMILES for 1-(4-methylphenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole is Cc1ccc(-n2nnnc2-c2cnn(-c3ccccc3)c2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole?
The InChIKey is DDAFGCDPVBHUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-13-8-10-16(11-9-13)24-18(20-21-22-24)17-12-19-23(14(17)2)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of 1-(4-methylphenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole?
1-(4-methylphenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole has a molecular weight of 316.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole is sourced from PubChem (CID 2825886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).