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

C16H10ClFN6 — CID 736210

IUPAC1-(4-chlorophenyl)-5-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]tetrazole
SMILESFc1ccc(-c2[nH]ncc2-c2nnnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H10ClFN6/c17-11-3-7-13(8-4-11)24-16(21-22-23-24)14-9-19-20-15(14)10-1-5-12(18)6-2-10/h1-9H,(H,19,20)
InChIKeyVSMIGOBAZPBWLV-UHFFFAOYSA-N
MW340.75 g/mol
LogP3.51
Rot. Bonds3

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

1-(4-chlorophenyl)-5-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]tetrazole (PubChem CID 736210) has the molecular formula C16H10ClFN6 and a molecular weight of 340.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]tetrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]tetrazole
PubChem CID736210
Molecular FormulaC16H10ClFN6
Molecular Weight340.75 g/mol
Exact Mass340.06
IUPAC Name1-(4-chlorophenyl)-5-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]tetrazole
SMILESFc1ccc(-c2[nH]ncc2-c2nnnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H10ClFN6/c17-11-3-7-13(8-4-11)24-16(21-22-23-24)14-9-19-20-15(14)10-1-5-12(18)6-2-10/h1-9H,(H,19,20)
InChIKeyVSMIGOBAZPBWLV-UHFFFAOYSA-N
XLogP3.51
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.75
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 822943
5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 2818189
1-(4-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-1,2,3,4-tetraazole
CID 1490715
1-Phenyl-5-[5-(trifluoromethyl)pyrazol-4-yl]-1,2,3,4-tetraazole
CID 2825791
5-[3-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-(p-tolyl)tetrazole
CID 737147
5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 2818187
1-(4-Chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole
CID 2825884
5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole
CID 73425791
1-(4-methylphenyl)-5-[5-(3-methylphenyl)-1H-pyrazol-4-yl]tetrazole
CID 136244576
1-[[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1,2,4-triazole
CID 137641864
1-(4-Chlorophenyl)-5-[5-(trifluoromethyl)pyrazol-4-yl]-1,2,3,4-tetraazole
CID 2825793
1-Phenyl-5-[5-(3-trifluoromethylphenyl)-1H-pyrazol-4-yl]-1H-tetrazole
CID 135659246

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]tetrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]tetrazole (CID 736210) is 1-(4-chlorophenyl)-5-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]tetrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]tetrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]tetrazole is Fc1ccc(-c2[nH]ncc2-c2nnnn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]tetrazole?
The InChIKey is VSMIGOBAZPBWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN6/c17-11-3-7-13(8-4-11)24-16(21-22-23-24)14-9-19-20-15(14)10-1-5-12(18)6-2-10/h1-9H,(H,19,20).
What are the key properties of 1-(4-chlorophenyl)-5-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]tetrazole?
1-(4-chlorophenyl)-5-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]tetrazole has a molecular weight of 340.75 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]tetrazole is sourced from PubChem (CID 736210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).