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

C12H10ClFN6 — CID 90029942

IUPAC5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-ethyltetrazole
SMILESCCn1nnc(-c2cnn(-c3ccccc3F)c2Cl)n1
InChIInChI=1S/C12H10ClFN6/c1-2-19-17-12(16-18-19)8-7-15-20(11(8)13)10-6-4-3-5-9(10)14/h3-7H,2H2,1H3
InChIKeyHIRSTBJFCJUBIL-UHFFFAOYSA-N
MW292.70 g/mol
LogP2.34
Rot. Bonds3

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

5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-ethyltetrazole (PubChem CID 90029942) has the molecular formula C12H10ClFN6 and a molecular weight of 292.70 g/mol. Its IUPAC name is 5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-ethyltetrazole.

Molecular Properties

Compound Name5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-ethyltetrazole
PubChem CID90029942
Molecular FormulaC12H10ClFN6
Molecular Weight292.70 g/mol
Exact Mass292.06
IUPAC Name5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-ethyltetrazole
SMILESCCn1nnc(-c2cnn(-c3ccccc3F)c2Cl)n1
InChIInChI=1S/C12H10ClFN6/c1-2-19-17-12(16-18-19)8-7-15-20(11(8)13)10-6-4-3-5-9(10)14/h3-7H,2H2,1H3
InChIKeyHIRSTBJFCJUBIL-UHFFFAOYSA-N
XLogP2.34
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 52.34
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-ethyltetrazole?
The IUPAC name of 5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-ethyltetrazole (CID 90029942) is 5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-ethyltetrazole.
What is the SMILES notation for 5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-ethyltetrazole?
The canonical SMILES for 5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-ethyltetrazole is CCn1nnc(-c2cnn(-c3ccccc3F)c2Cl)n1.
What is the InChIKey of 5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-ethyltetrazole?
The InChIKey is HIRSTBJFCJUBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN6/c1-2-19-17-12(16-18-19)8-7-15-20(11(8)13)10-6-4-3-5-9(10)14/h3-7H,2H2,1H3.
What are the key properties of 5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-ethyltetrazole?
5-[5-chloro-1-(2-fluorophenyl)pyrazol-4-yl]-2-ethyltetrazole has a molecular weight of 292.70 g/mol, XLogP of 2.34, 3 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-ethyltetrazole is sourced from PubChem (CID 90029942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).