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

C16H11FN6 — CID 2818189

IUPAC5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole
SMILESFc1ccccc1-c1[nH]ncc1-c1nnnn1-c1ccccc1
InChIInChI=1S/C16H11FN6/c17-14-9-5-4-8-12(14)15-13(10-18-19-15)16-20-21-22-23(16)11-6-2-1-3-7-11/h1-10H,(H,18,19)
InChIKeyYTIDETXOYNHHHP-UHFFFAOYSA-N
MW306.30 g/mol
LogP2.86
Rot. Bonds3

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

5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole (PubChem CID 2818189) has the molecular formula C16H11FN6 and a molecular weight of 306.30 g/mol. Its IUPAC name is 5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole
PubChem CID2818189
Molecular FormulaC16H11FN6
Molecular Weight306.30 g/mol
Exact Mass306.10
IUPAC Name5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole
SMILESFc1ccccc1-c1[nH]ncc1-c1nnnn1-c1ccccc1
InChIInChI=1S/C16H11FN6/c17-14-9-5-4-8-12(14)15-13(10-18-19-15)16-20-21-22-23(16)11-6-2-1-3-7-11/h1-10H,(H,18,19)
InChIKeyYTIDETXOYNHHHP-UHFFFAOYSA-N
XLogP2.86
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole?
The IUPAC name of 5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole (CID 2818189) is 5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole.
What is the SMILES notation for 5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole?
The canonical SMILES for 5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole is Fc1ccccc1-c1[nH]ncc1-c1nnnn1-c1ccccc1.
What is the InChIKey of 5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole?
The InChIKey is YTIDETXOYNHHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6/c17-14-9-5-4-8-12(14)15-13(10-18-19-15)16-20-21-22-23(16)11-6-2-1-3-7-11/h1-10H,(H,18,19).
What are the key properties of 5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole?
5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole has a molecular weight of 306.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole is sourced from PubChem (CID 2818189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).