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

C10H6ClFN6 — CID 90029714

IUPAC5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2H-tetrazole
SMILESFc1ccc(-n2ncc(-c3nn[nH]n3)c2Cl)cc1
InChIInChI=1S/C10H6ClFN6/c11-9-8(10-14-16-17-15-10)5-13-18(9)7-3-1-6(12)2-4-7/h1-5H,(H,14,15,16,17)
InChIKeyPDUDGDVIGFWQGS-UHFFFAOYSA-N
MW264.65 g/mol
LogP1.84
Rot. Bonds2

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

5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2H-tetrazole (PubChem CID 90029714) has the molecular formula C10H6ClFN6 and a molecular weight of 264.65 g/mol. Its IUPAC name is 5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2H-tetrazole
PubChem CID90029714
Molecular FormulaC10H6ClFN6
Molecular Weight264.65 g/mol
Exact Mass264.03
IUPAC Name5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2H-tetrazole
SMILESFc1ccc(-n2ncc(-c3nn[nH]n3)c2Cl)cc1
InChIInChI=1S/C10H6ClFN6/c11-9-8(10-14-16-17-15-10)5-13-18(9)7-3-1-6(12)2-4-7/h1-5H,(H,14,15,16,17)
InChIKeyPDUDGDVIGFWQGS-UHFFFAOYSA-N
XLogP1.84
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.65
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2H-tetrazole?
The IUPAC name of 5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2H-tetrazole (CID 90029714) is 5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2H-tetrazole.
What is the SMILES notation for 5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2H-tetrazole?
The canonical SMILES for 5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2H-tetrazole is Fc1ccc(-n2ncc(-c3nn[nH]n3)c2Cl)cc1.
What is the InChIKey of 5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2H-tetrazole?
The InChIKey is PDUDGDVIGFWQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN6/c11-9-8(10-14-16-17-15-10)5-13-18(9)7-3-1-6(12)2-4-7/h1-5H,(H,14,15,16,17).
What are the key properties of 5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2H-tetrazole?
5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2H-tetrazole has a molecular weight of 264.65 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-2H-tetrazole is sourced from PubChem (CID 90029714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).