5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole

C11H8ClFN6 — CID 154061741

IUPAC5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole
SMILESCn1nnc(-c2cnn(-c3ccc(F)cc3)c2Cl)n1
InChIInChI=1S/C11H8ClFN6/c1-18-16-11(15-17-18)9-6-14-19(10(9)12)8-4-2-7(13)3-5-8/h2-6H,1H3
InChIKeyKYZVVWDHQHXLTN-UHFFFAOYSA-N
MW278.68 g/mol
LogP1.86
Rot. Bonds2

About 5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole

5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole (PubChem CID 154061741) has the molecular formula C11H8ClFN6 and a molecular weight of 278.68 g/mol. Its IUPAC name is 5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole
PubChem CID154061741
Molecular FormulaC11H8ClFN6
Molecular Weight278.68 g/mol
Exact Mass278.05
IUPAC Name5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole
SMILESCn1nnc(-c2cnn(-c3ccc(F)cc3)c2Cl)n1
InChIInChI=1S/C11H8ClFN6/c1-18-16-11(15-17-18)9-6-14-19(10(9)12)8-4-2-7(13)3-5-8/h2-6H,1H3
InChIKeyKYZVVWDHQHXLTN-UHFFFAOYSA-N
XLogP1.86
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.68
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-4-(1H-1,2,3,4-tetraazol-5-yl)-1H-pyrazol-3-amine
CID 2806140
5-(1-(3-fluorophenyl)-1H-pyrazol-4-yl)-2H-tetrazole
CID 71604900
1-(4-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-1,2,3,4-tetraazole
CID 1490715
1-(4-Chlorophenyl)-5-(5-methyl-1-phenylpyrazol-4-yl)tetrazole
CID 2825884
1-(1-ethyl-1H-pyrazol-4-yl)-N-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-methylmethanamine
CID 56909472
5-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545297
5-[1-(2,4-dichlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545298
5-[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545539
5-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545541
5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545542
5-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545543
5-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545544

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole?
The IUPAC name of 5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole (CID 154061741) is 5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole.
What is the SMILES notation for 5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole?
The canonical SMILES for 5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole is Cn1nnc(-c2cnn(-c3ccc(F)cc3)c2Cl)n1.
What is the InChIKey of 5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole?
The InChIKey is KYZVVWDHQHXLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN6/c1-18-16-11(15-17-18)9-6-14-19(10(9)12)8-4-2-7(13)3-5-8/h2-6H,1H3.
What are the key properties of 5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole?
5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole has a molecular weight of 278.68 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole is sourced from PubChem (CID 154061741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).