1-(2-chloro-4-fluorophenyl)pyrazole

C9H6ClFN2 — CID 91212691

IUPAC1-(2-chloro-4-fluorophenyl)pyrazole
SMILESFc1ccc(-n2cccn2)c(Cl)c1
InChIInChI=1S/C9H6ClFN2/c10-8-6-7(11)2-3-9(8)13-5-1-4-12-13/h1-6H
InChIKeyWHSUXTAXPOUPBK-UHFFFAOYSA-N
MW196.61 g/mol
LogP2.66
Rot. Bonds1

About 1-(2-chloro-4-fluorophenyl)pyrazole

1-(2-chloro-4-fluorophenyl)pyrazole (PubChem CID 91212691) has the molecular formula C9H6ClFN2 and a molecular weight of 196.61 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)pyrazole.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)pyrazole
PubChem CID91212691
Molecular FormulaC9H6ClFN2
Molecular Weight196.61 g/mol
Exact Mass196.02
IUPAC Name1-(2-chloro-4-fluorophenyl)pyrazole
SMILESFc1ccc(-n2cccn2)c(Cl)c1
InChIInChI=1S/C9H6ClFN2/c10-8-6-7(11)2-3-9(8)13-5-1-4-12-13/h1-6H
InChIKeyWHSUXTAXPOUPBK-UHFFFAOYSA-N
XLogP2.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.61
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)pyrazole?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)pyrazole (CID 91212691) is 1-(2-chloro-4-fluorophenyl)pyrazole.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)pyrazole?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)pyrazole is Fc1ccc(-n2cccn2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)pyrazole?
The InChIKey is WHSUXTAXPOUPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2/c10-8-6-7(11)2-3-9(8)13-5-1-4-12-13/h1-6H.
What are the key properties of 1-(2-chloro-4-fluorophenyl)pyrazole?
1-(2-chloro-4-fluorophenyl)pyrazole has a molecular weight of 196.61 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)pyrazole is sourced from PubChem (CID 91212691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).