5-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole

C15H10F2N2O — CID 11471257

IUPAC5-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole
SMILESFc1ccc(Oc2ccc(-c3ccn[nH]3)cc2)c(F)c1
InChIInChI=1S/C15H10F2N2O/c16-11-3-6-15(13(17)9-11)20-12-4-1-10(2-5-12)14-7-8-18-19-14/h1-9H,(H,18,19)
InChIKeyHGZJSEMXMRLQHS-UHFFFAOYSA-N
MW272.25 g/mol
LogP4.15
Rot. Bonds3

About 5-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole

5-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole (PubChem CID 11471257) has the molecular formula C15H10F2N2O and a molecular weight of 272.25 g/mol. Its IUPAC name is 5-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole
PubChem CID11471257
Molecular FormulaC15H10F2N2O
Molecular Weight272.25 g/mol
Exact Mass272.08
IUPAC Name5-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole
SMILESFc1ccc(Oc2ccc(-c3ccn[nH]3)cc2)c(F)c1
InChIInChI=1S/C15H10F2N2O/c16-11-3-6-15(13(17)9-11)20-12-4-1-10(2-5-12)14-7-8-18-19-14/h1-9H,(H,18,19)
InChIKeyHGZJSEMXMRLQHS-UHFFFAOYSA-N
XLogP4.15
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole?
The IUPAC name of 5-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole (CID 11471257) is 5-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole?
The canonical SMILES for 5-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole is Fc1ccc(Oc2ccc(-c3ccn[nH]3)cc2)c(F)c1.
What is the InChIKey of 5-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole?
The InChIKey is HGZJSEMXMRLQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O/c16-11-3-6-15(13(17)9-11)20-12-4-1-10(2-5-12)14-7-8-18-19-14/h1-9H,(H,18,19).
What are the key properties of 5-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole?
5-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole has a molecular weight of 272.25 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole is sourced from PubChem (CID 11471257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).