5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole

C16H11ClN6 — CID 73425791

IUPAC5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole
SMILESClc1ccc(-c2nn(-c3ccccc3)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C16H11ClN6/c17-12-8-6-11(7-9-12)15-14(16-18-21-22-19-16)10-23(20-15)13-4-2-1-3-5-13/h1-10H,(H,18,19,21,22)
InChIKeyQJZKGGBXXLOJOG-UHFFFAOYSA-N
MW322.76 g/mol
LogP3.37
Rot. Bonds3

About 5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole

5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole (PubChem CID 73425791) has the molecular formula C16H11ClN6 and a molecular weight of 322.76 g/mol. Its IUPAC name is 5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole
PubChem CID73425791
Molecular FormulaC16H11ClN6
Molecular Weight322.76 g/mol
Exact Mass322.07
IUPAC Name5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole
SMILESClc1ccc(-c2nn(-c3ccccc3)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C16H11ClN6/c17-12-8-6-11(7-9-12)15-14(16-18-21-22-19-16)10-23(20-15)13-4-2-1-3-5-13/h1-10H,(H,18,19,21,22)
InChIKeyQJZKGGBXXLOJOG-UHFFFAOYSA-N
XLogP3.37
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole?
The IUPAC name of 5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole (CID 73425791) is 5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole.
What is the SMILES notation for 5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole?
The canonical SMILES for 5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole is Clc1ccc(-c2nn(-c3ccccc3)cc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole?
The InChIKey is QJZKGGBXXLOJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6/c17-12-8-6-11(7-9-12)15-14(16-18-21-22-19-16)10-23(20-15)13-4-2-1-3-5-13/h1-10H,(H,18,19,21,22).
What are the key properties of 5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole?
5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole has a molecular weight of 322.76 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole is sourced from PubChem (CID 73425791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).