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

C11H8ClFN6 — CID 90028724

IUPAC5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole
SMILESCn1nnc(-c2cnn(-c3ccccc3F)c2Cl)n1
InChIInChI=1S/C11H8ClFN6/c1-18-16-11(15-17-18)7-6-14-19(10(7)12)9-5-3-2-4-8(9)13/h2-6H,1H3
InChIKeyIXBSVLUXJOVDET-UHFFFAOYSA-N
MW278.68 g/mol
LogP1.86
Rot. Bonds2

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

5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole (PubChem CID 90028724) has the molecular formula C11H8ClFN6 and a molecular weight of 278.68 g/mol. Its IUPAC name is 5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole
PubChem CID90028724
Molecular FormulaC11H8ClFN6
Molecular Weight278.68 g/mol
Exact Mass278.05
IUPAC Name5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole
SMILESCn1nnc(-c2cnn(-c3ccccc3F)c2Cl)n1
InChIInChI=1S/C11H8ClFN6/c1-18-16-11(15-17-18)7-6-14-19(10(7)12)9-5-3-2-4-8(9)13/h2-6H,1H3
InChIKeyIXBSVLUXJOVDET-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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Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole?
The IUPAC name of 5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole (CID 90028724) is 5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole.
What is the SMILES notation for 5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole?
The canonical SMILES for 5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole is Cn1nnc(-c2cnn(-c3ccccc3F)c2Cl)n1.
What is the InChIKey of 5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole?
The InChIKey is IXBSVLUXJOVDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN6/c1-18-16-11(15-17-18)7-6-14-19(10(7)12)9-5-3-2-4-8(9)13/h2-6H,1H3.
What are the key properties of 5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole?
5-[5-chloro-1-(2-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-(2-fluorophenyl)pyrazol-4-yl]-2-methyltetrazole is sourced from PubChem (CID 90028724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).