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

C16H11FN6 — CID 2818187

IUPAC5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole
SMILESFc1cccc(-c2[nH]ncc2-c2nnnn2-c2ccccc2)c1
InChIInChI=1S/C16H11FN6/c17-12-6-4-5-11(9-12)15-14(10-18-19-15)16-20-21-22-23(16)13-7-2-1-3-8-13/h1-10H,(H,18,19)
InChIKeyZKLZMWSHSFDQMJ-UHFFFAOYSA-N
MW306.30 g/mol
LogP2.86
Rot. Bonds3

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

5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole (PubChem CID 2818187) has the molecular formula C16H11FN6 and a molecular weight of 306.30 g/mol. Its IUPAC name is 5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole
PubChem CID2818187
Molecular FormulaC16H11FN6
Molecular Weight306.30 g/mol
Exact Mass306.10
IUPAC Name5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole
SMILESFc1cccc(-c2[nH]ncc2-c2nnnn2-c2ccccc2)c1
InChIInChI=1S/C16H11FN6/c17-12-6-4-5-11(9-12)15-14(10-18-19-15)16-20-21-22-23(16)13-7-2-1-3-8-13/h1-10H,(H,18,19)
InChIKeyZKLZMWSHSFDQMJ-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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Related Compounds

4,6-dimethyl-2-{(2E)-2-[(3-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}pyrimidine
CID 135654413
N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 135569777
5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 822943
5-[1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)-1H-tetraazole
CID 1046800
4-[4-(4-fluorobenzyl)-5-methyl-4H-1,2,4-triazol-3-yl]-1-phenyl-1H-pyrazol-5-amine
CID 1472687
3-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-5-[(4-propan-2-ylphenyl)methyl]-1H-1,2,4-triazole
CID 145966280
1-(4-methylphenyl)-4-(2H-1,2,3,4-tetraazol-5-yl)-1H-pyrazol-5-amine
CID 2806155
5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 2818189
5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetraazole
CID 1490716
5-[1-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 1046796
5-[1-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)-1H-tetraazole
CID 1046816
1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-tetraazole
CID 1210219

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole?
The IUPAC name of 5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole (CID 2818187) is 5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole.
What is the SMILES notation for 5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole?
The canonical SMILES for 5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole is Fc1cccc(-c2[nH]ncc2-c2nnnn2-c2ccccc2)c1.
What is the InChIKey of 5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole?
The InChIKey is ZKLZMWSHSFDQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6/c17-12-6-4-5-11(9-12)15-14(10-18-19-15)16-20-21-22-23(16)13-7-2-1-3-8-13/h1-10H,(H,18,19).
What are the key properties of 5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole?
5-[5-(3-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-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole is sourced from PubChem (CID 2818187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).