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

C17H13ClN6 — CID 2825884

IUPAC1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole
SMILESCc1c(-c2nnnn2-c2ccc(Cl)cc2)cnn1-c1ccccc1
InChIInChI=1S/C17H13ClN6/c1-12-16(11-19-23(12)14-5-3-2-4-6-14)17-20-21-22-24(17)15-9-7-13(18)8-10-15/h2-11H,1H3
InChIKeyOGXFOMYILQZEMT-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.48
Rot. Bonds3

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

1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole (PubChem CID 2825884) has the molecular formula C17H13ClN6 and a molecular weight of 336.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole
PubChem CID2825884
Molecular FormulaC17H13ClN6
Molecular Weight336.79 g/mol
Exact Mass336.09
IUPAC Name1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole
SMILESCc1c(-c2nnnn2-c2ccc(Cl)cc2)cnn1-c1ccccc1
InChIInChI=1S/C17H13ClN6/c1-12-16(11-19-23(12)14-5-3-2-4-6-14)17-20-21-22-24(17)15-9-7-13(18)8-10-15/h2-11H,1H3
InChIKeyOGXFOMYILQZEMT-UHFFFAOYSA-N
XLogP3.48
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole (CID 2825884) is 1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole is Cc1c(-c2nnnn2-c2ccc(Cl)cc2)cnn1-c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole?
The InChIKey is OGXFOMYILQZEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6/c1-12-16(11-19-23(12)14-5-3-2-4-6-14)17-20-21-22-24(17)15-9-7-13(18)8-10-15/h2-11H,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole?
1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole has a molecular weight of 336.79 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole is sourced from PubChem (CID 2825884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).