5-[1-(3-fluorophenyl)pyrazol-4-yl]-2H-tetrazole

C10H7FN6 — CID 71604900

IUPAC5-[1-(3-fluorophenyl)pyrazol-4-yl]-2H-tetrazole
SMILESFc1cccc(-n2cc(-c3nn[nH]n3)cn2)c1
InChIInChI=1S/C10H7FN6/c11-8-2-1-3-9(4-8)17-6-7(5-12-17)10-13-15-16-14-10/h1-6H,(H,13,14,15,16)
InChIKeyVYCOCKQAMBHNCA-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.19
Rot. Bonds2

About 5-[1-(3-fluorophenyl)pyrazol-4-yl]-2H-tetrazole

5-[1-(3-fluorophenyl)pyrazol-4-yl]-2H-tetrazole (PubChem CID 71604900) has the molecular formula C10H7FN6 and a molecular weight of 230.21 g/mol. Its IUPAC name is 5-[1-(3-fluorophenyl)pyrazol-4-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[1-(3-fluorophenyl)pyrazol-4-yl]-2H-tetrazole
PubChem CID71604900
Molecular FormulaC10H7FN6
Molecular Weight230.21 g/mol
Exact Mass230.07
IUPAC Name5-[1-(3-fluorophenyl)pyrazol-4-yl]-2H-tetrazole
SMILESFc1cccc(-n2cc(-c3nn[nH]n3)cn2)c1
InChIInChI=1S/C10H7FN6/c11-8-2-1-3-9(4-8)17-6-7(5-12-17)10-13-15-16-14-10/h1-6H,(H,13,14,15,16)
InChIKeyVYCOCKQAMBHNCA-UHFFFAOYSA-N
XLogP1.19
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluorophenyl)pyrazol-4-yl]-2H-tetrazole?
The IUPAC name of 5-[1-(3-fluorophenyl)pyrazol-4-yl]-2H-tetrazole (CID 71604900) is 5-[1-(3-fluorophenyl)pyrazol-4-yl]-2H-tetrazole.
What is the SMILES notation for 5-[1-(3-fluorophenyl)pyrazol-4-yl]-2H-tetrazole?
The canonical SMILES for 5-[1-(3-fluorophenyl)pyrazol-4-yl]-2H-tetrazole is Fc1cccc(-n2cc(-c3nn[nH]n3)cn2)c1.
What is the InChIKey of 5-[1-(3-fluorophenyl)pyrazol-4-yl]-2H-tetrazole?
The InChIKey is VYCOCKQAMBHNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN6/c11-8-2-1-3-9(4-8)17-6-7(5-12-17)10-13-15-16-14-10/h1-6H,(H,13,14,15,16).
What are the key properties of 5-[1-(3-fluorophenyl)pyrazol-4-yl]-2H-tetrazole?
5-[1-(3-fluorophenyl)pyrazol-4-yl]-2H-tetrazole has a molecular weight of 230.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluorophenyl)pyrazol-4-yl]-2H-tetrazole is sourced from PubChem (CID 71604900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).