3-(4-chlorophenyl)-5-(2,5-difluorophenyl)-1H-pyrazole

C15H9ClF2N2 — CID 67759328

IUPAC3-(4-chlorophenyl)-5-(2,5-difluorophenyl)-1H-pyrazole
SMILESFc1ccc(F)c(-c2cc(-c3ccc(Cl)cc3)n[nH]2)c1
InChIInChI=1S/C15H9ClF2N2/c16-10-3-1-9(2-4-10)14-8-15(20-19-14)12-7-11(17)5-6-13(12)18/h1-8H,(H,19,20)
InChIKeyWKRUWAXUCUMQLD-UHFFFAOYSA-N
MW290.70 g/mol
LogP4.68
Rot. Bonds2

About 3-(4-chlorophenyl)-5-(2,5-difluorophenyl)-1H-pyrazole

3-(4-chlorophenyl)-5-(2,5-difluorophenyl)-1H-pyrazole (PubChem CID 67759328) has the molecular formula C15H9ClF2N2 and a molecular weight of 290.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(2,5-difluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(2,5-difluorophenyl)-1H-pyrazole
PubChem CID67759328
Molecular FormulaC15H9ClF2N2
Molecular Weight290.70 g/mol
Exact Mass290.04
IUPAC Name3-(4-chlorophenyl)-5-(2,5-difluorophenyl)-1H-pyrazole
SMILESFc1ccc(F)c(-c2cc(-c3ccc(Cl)cc3)n[nH]2)c1
InChIInChI=1S/C15H9ClF2N2/c16-10-3-1-9(2-4-10)14-8-15(20-19-14)12-7-11(17)5-6-13(12)18/h1-8H,(H,19,20)
InChIKeyWKRUWAXUCUMQLD-UHFFFAOYSA-N
XLogP4.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(2,5-difluorophenyl)-1H-pyrazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(2,5-difluorophenyl)-1H-pyrazole (CID 67759328) is 3-(4-chlorophenyl)-5-(2,5-difluorophenyl)-1H-pyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(2,5-difluorophenyl)-1H-pyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(2,5-difluorophenyl)-1H-pyrazole is Fc1ccc(F)c(-c2cc(-c3ccc(Cl)cc3)n[nH]2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(2,5-difluorophenyl)-1H-pyrazole?
The InChIKey is WKRUWAXUCUMQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2/c16-10-3-1-9(2-4-10)14-8-15(20-19-14)12-7-11(17)5-6-13(12)18/h1-8H,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)-5-(2,5-difluorophenyl)-1H-pyrazole?
3-(4-chlorophenyl)-5-(2,5-difluorophenyl)-1H-pyrazole has a molecular weight of 290.70 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(2,5-difluorophenyl)-1H-pyrazole is sourced from PubChem (CID 67759328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).