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

C16H13FN6 — CID 139267181

IUPAC5-[4-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]-2H-tetrazole
SMILESFc1ccc(C2=NNC(c3ccc(-c4nn[nH]n4)cc3)C2)cc1
InChIInChI=1S/C16H13FN6/c17-13-7-5-11(6-8-13)15-9-14(18-19-15)10-1-3-12(4-2-10)16-20-22-23-21-16/h1-8,14,18H,9H2,(H,20,21,22,23)
InChIKeyCCJIQTXADKQGAJ-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.44
Rot. Bonds3

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

5-[4-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]-2H-tetrazole (PubChem CID 139267181) has the molecular formula C16H13FN6 and a molecular weight of 308.32 g/mol. Its IUPAC name is 5-[4-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]-2H-tetrazole
PubChem CID139267181
Molecular FormulaC16H13FN6
Molecular Weight308.32 g/mol
Exact Mass308.12
IUPAC Name5-[4-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]-2H-tetrazole
SMILESFc1ccc(C2=NNC(c3ccc(-c4nn[nH]n4)cc3)C2)cc1
InChIInChI=1S/C16H13FN6/c17-13-7-5-11(6-8-13)15-9-14(18-19-15)10-1-3-12(4-2-10)16-20-22-23-21-16/h1-8,14,18H,9H2,(H,20,21,22,23)
InChIKeyCCJIQTXADKQGAJ-UHFFFAOYSA-N
XLogP2.44
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]-2H-tetrazole (CID 139267181) is 5-[4-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]-2H-tetrazole is Fc1ccc(C2=NNC(c3ccc(-c4nn[nH]n4)cc3)C2)cc1.
What is the InChIKey of 5-[4-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]-2H-tetrazole?
The InChIKey is CCJIQTXADKQGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6/c17-13-7-5-11(6-8-13)15-9-14(18-19-15)10-1-3-12(4-2-10)16-20-22-23-21-16/h1-8,14,18H,9H2,(H,20,21,22,23).
What are the key properties of 5-[4-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]-2H-tetrazole?
5-[4-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]-2H-tetrazole has a molecular weight of 308.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]-2H-tetrazole is sourced from PubChem (CID 139267181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).