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

C11H9FN6 — CID 72545542

IUPAC5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
SMILESCc1nn(-c2ccccc2F)cc1-c1nn[nH]n1
InChIInChI=1S/C11H9FN6/c1-7-8(11-13-16-17-14-11)6-18(15-7)10-5-3-2-4-9(10)12/h2-6H,1H3,(H,13,14,16,17)
InChIKeyREKCKNFNVKNRBE-UHFFFAOYSA-N
MW244.23 g/mol
LogP1.50
Rot. Bonds2

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

5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole (PubChem CID 72545542) has the molecular formula C11H9FN6 and a molecular weight of 244.23 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
PubChem CID72545542
Molecular FormulaC11H9FN6
Molecular Weight244.23 g/mol
Exact Mass244.09
IUPAC Name5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
SMILESCc1nn(-c2ccccc2F)cc1-c1nn[nH]n1
InChIInChI=1S/C11H9FN6/c1-7-8(11-13-16-17-14-11)6-18(15-7)10-5-3-2-4-9(10)12/h2-6H,1H3,(H,13,14,16,17)
InChIKeyREKCKNFNVKNRBE-UHFFFAOYSA-N
XLogP1.50
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-(3-fluorophenyl)-1H-pyrazol-4-yl)-2H-tetrazole
CID 71604900
N,N-dimethyl-5-(4-pyrazol-1-ylphenyl)tetrazole-2-carboxamide
CID 72197979
1-(4-methylphenyl)-4-(2H-1,2,3,4-tetraazol-5-yl)-1H-pyrazol-5-amine
CID 2806155
N-[(1E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4H-1,2,4-triazol-4-amine
CID 9559317
5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetraazole
CID 1490716
4-methyl-1-phenyl-1H-pyrazol-3-amine
CID 12847947
5-[1-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 1046796
1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-tetraazole
CID 1210219
1-Phenyl-5-[5-(trifluoromethyl)pyrazol-4-yl]-1,2,3,4-tetraazole
CID 2825791
3-[2-(4-Fluorophenyl)-5-tetrazolyl]pyridine
CID 16066652
1-Phenyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,3,4-tetraazole
CID 2825792
US11306096, Example 3
CID 130431108

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole?
The IUPAC name of 5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole (CID 72545542) is 5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole.
What is the SMILES notation for 5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole?
The canonical SMILES for 5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole is Cc1nn(-c2ccccc2F)cc1-c1nn[nH]n1.
What is the InChIKey of 5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole?
The InChIKey is REKCKNFNVKNRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN6/c1-7-8(11-13-16-17-14-11)6-18(15-7)10-5-3-2-4-9(10)12/h2-6H,1H3,(H,13,14,16,17).
What are the key properties of 5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole?
5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole has a molecular weight of 244.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole is sourced from PubChem (CID 72545542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).