5-(1-phenylpyrazol-3-yl)-2H-tetrazole

C10H8N6 — CID 155806906

IUPAC5-(1-phenylpyrazol-3-yl)-2H-tetrazole
SMILESc1ccc(-n2ccc(-c3nn[nH]n3)n2)cc1
InChIInChI=1S/C10H8N6/c1-2-4-8(5-3-1)16-7-6-9(13-16)10-11-14-15-12-10/h1-7H,(H,11,12,14,15)
InChIKeyFQFILNOFIUWOJK-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.05
Rot. Bonds2

About 5-(1-phenylpyrazol-3-yl)-2H-tetrazole

5-(1-phenylpyrazol-3-yl)-2H-tetrazole (PubChem CID 155806906) has the molecular formula C10H8N6 and a molecular weight of 212.22 g/mol. Its IUPAC name is 5-(1-phenylpyrazol-3-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(1-phenylpyrazol-3-yl)-2H-tetrazole
PubChem CID155806906
Molecular FormulaC10H8N6
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name5-(1-phenylpyrazol-3-yl)-2H-tetrazole
SMILESc1ccc(-n2ccc(-c3nn[nH]n3)n2)cc1
InChIInChI=1S/C10H8N6/c1-2-4-8(5-3-1)16-7-6-9(13-16)10-11-14-15-12-10/h1-7H,(H,11,12,14,15)
InChIKeyFQFILNOFIUWOJK-UHFFFAOYSA-N
XLogP1.05
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylpyrazol-3-yl)-2H-tetrazole?
The IUPAC name of 5-(1-phenylpyrazol-3-yl)-2H-tetrazole (CID 155806906) is 5-(1-phenylpyrazol-3-yl)-2H-tetrazole.
What is the SMILES notation for 5-(1-phenylpyrazol-3-yl)-2H-tetrazole?
The canonical SMILES for 5-(1-phenylpyrazol-3-yl)-2H-tetrazole is c1ccc(-n2ccc(-c3nn[nH]n3)n2)cc1.
What is the InChIKey of 5-(1-phenylpyrazol-3-yl)-2H-tetrazole?
The InChIKey is FQFILNOFIUWOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6/c1-2-4-8(5-3-1)16-7-6-9(13-16)10-11-14-15-12-10/h1-7H,(H,11,12,14,15).
What are the key properties of 5-(1-phenylpyrazol-3-yl)-2H-tetrazole?
5-(1-phenylpyrazol-3-yl)-2H-tetrazole has a molecular weight of 212.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylpyrazol-3-yl)-2H-tetrazole is sourced from PubChem (CID 155806906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).